Methidathion
- Formula: C6H11N2O3PS2
- Molecular weight: 254.267
- IUPAC Standard InChIKey: MEBQXILRKZHVCX-UHFFFAOYSA-N
- CAS Registry Number: 950-37-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phosphorodithioic acid, S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl ester; Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 4-(mercaptomethyl)-2-methoxy-Δ2-1,3,4-thiadiazolin-5-one; DMTP; Geigy GS 13005; Geigy 13005; GS 13005; Medathion; Supracid; Supracide; Ultracid; Ultracid 40; S-(2,3-Dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl) O,O-dimethyl phosphorodithioate; Ciba-geigy gs 13005; (O,O-Dimethyl)-S-(-2-methoxy-Δ2-1,3,4-thiadiazolin-5-on-4-ylmethyl)dithiophosphate; S-(2,3-Dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-methyl) dimethyl phosphorothiolothionate; O,O-Dimethyl S-(5-methoxy-1,3,4-thiadiazolinyl-3-methyl) dithiophosphate; O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5(4H)-onyl-(4)-methyl) phosphorodithioate; O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5-on-4-yl)-methyl-dithiophosphate; O,O-Dimethyl-S-(2-methoxy-1,3,4-thiadiazol-5-(4H)-onyl-(4)-methyl)-dithiophosphate; O,O-Dimethyl-S-((2-methoxy-1,3,4 (4H)-thiodiazol-5-on-4-yl)-methyl)-dithiofosfaat; O,O-Dimetil-S-((2-metossi-1,3,4-(4H)-tiadiazol-5-on-4-il)-metil)-ditiofosfato; ENT 27193; Fisons NC 2964; Methidathion 50S; S-2-Metoksy-1,3,4-tiadiazolo-5-on-N-metylo-O,O-dwumetylowy; S-((5-Methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl) O,O-dimethyl phosphorodithioate; OMS 844; Somonil; Ultracide; Suprathion; DMTP (insecticide); Ultracid EC 40; Dithiophosphoric acid O,O'-dimethyl-S-((2-methoxy-1,3,4-thiadiazol-5(4H)-on-4-yl)methyl) ester; Dithiophosphoric acid O,O'-dimethyl-S-((5-methoxy-1,3,4-thiadiazol-2(3H)-on-3-yl)methyl) ester
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 315.61 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.54 | 315.1 | DSC | Donnelly, Drewes, et al., 1990, 2 | AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | ACCUSTANDARD Chemicals / NIST MS Data Center. |
NIST MS number | 125518 |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 190. | 2046. | Erdmann, Rochholz, et al., 1992 | |
Packed | SE-30 | 210. | 2064. | Oyama, Sano, et al., 1987 | N2, AW-DMCS; Column diameter: 0.53 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 2058. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Capillary | DB-5 | 2100. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 2100. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Packed | SE-30 | 2092. | Osselton and Snelling, 1986 | N2, Chromosorb W HP; Column length: 2. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SLB-5MS | 2099. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Capillary | SLB-5MS | 2103. | Mondello, Casilli, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 300. C |
Capillary | OV-1 | 2037. | Bicchi, D'Amato, et al., 1996 | 25. m/0.25 mm/0.3 μm, H2, 160. C @ 1. min, 5. K/min, 260. C @ 2. min |
Packed | OV-1 | 2027. | Oyama, Sano, et al., 1987 | N2, AW-DMCS, 2. K/min; Column diameter: 0.53 mm; Tstart: 80. C; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 2037. | Bicchi, D'Amato, et al., 1994 | 25. m/0.25 mm/0.3 μm; Program: from 160 0C (1 min) at 1 0/min to 170 0C, then 5 0/min to 270 0C (2min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-1 | 190. | 2045. | TSunoda, 1986 | Helium, Chromosorb W AW DMCS; Column length: 1. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-1 | 2030. | TSunoda, 1986 | Helium, Chromosorb W AW DMCS, 4. K/min, 210. C @ 20. min; Column length: 1. m; Tstart: 140. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 2115. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
Capillary | 5 % Phenyl methyl siloxane | 2113. | Department of Food Safety and Welfare, 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) 25 0C/min -> 125 0C 10 0C/min -> 300 0C (10 min) |
Capillary | HP-5 | 2100. | Kawara, Asada, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) 20 0C/min -> 150 0C 10 0C/min -> 280 0C |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
Erdmann, Rochholz, et al., 1992
Erdmann, F.; Rochholz, G.; Schütz, H.,
Retention-indices on OV-1 of approximately 170 commonly used pesticides,
Mikrochim. Acta, 1992, 106, 3-6, 219-226, https://doi.org/10.1007/BF01242093
. [all data]
Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K.,
Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices,
Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342
. [all data]
Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T.,
A new gas chromatographic retention index for pesticides and related compounds,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503
. [all data]
Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A.,
New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry,
J. AOAC Int., 2000, 83, 1, 61-77. [all data]
Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D.,
Chromatographic Identification of Pesticides,
J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9
. [all data]
Mondello, Casilli, et al., 2007
Mondello, L.; Casilli, A.; Tranchida, P.Q.; Presti, M.L.; Dugo, P.; Dugo, G.,
Comprehensive gas chromatography coupled to mass spectrometry for the separation of pesticides in a very complex matrix,
Anal. Bioanal. Chem., 2007, 389, 6, 1755-1763, https://doi.org/10.1007/s00216-007-1412-y
. [all data]
Bicchi, D'Amato, et al., 1996
Bicchi, C.; D'Amato, A.; Binello, A.,
Identification of pesticide residues in real matrices by combining retention indices and specific multidetection responses,
J. Hi. Res. Chromatogr., 1996, 19, 2, 80-84, https://doi.org/10.1002/jhrc.1240190204
. [all data]
Bicchi, D'Amato, et al., 1994
Bicchi, C.; D'Amato, A.; Orlandin, M.,
Identification of the constituents of a complex mixture by combined use of retention indices and specific multidetection responses,
J. Hi. Res. Chromatogr., 1994, 17, 5, 335-338, https://doi.org/10.1002/jhrc.1240170510
. [all data]
TSunoda, 1986
TSunoda, N.,
Simultaneous determination of organophosphorous pesticides in forencis chemistry by gas-liquid chromatography with hydrogen flame ionization detector,
Eisei Kagaku, 1986, 32, 2, 91-100, https://doi.org/10.1248/jhs1956.32.91
. [all data]
Department of Food Safety and Welfare, 2006
Department of Food Safety, Ministry of Health; Welfare,
Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf. [all data]
Kawara, Asada, et al., 2005
Kawara, K.; Asada, T.; Oikawa, K.; Tanabe, A.,
Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometry,
J. AOAC International, 2005, 88, 5, 1440-1451. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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