Phosphorodithioic acid, S-[(tert-butylthio)methyl] O,O-diethyl ester
- Formula: C9H21O2PS3
- Molecular weight: 288.431
- IUPAC Standard InChI: InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
- IUPAC Standard InChIKey: XLNZEKHULJKQBA-UHFFFAOYSA-N
- CAS Registry Number: 13071-79-9
- 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-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl ester; AC 92100; Counter; Counter 15G; O,O-Diethyl S-(tert-butylthio)methyl phosphorodithioate; S-[(tert-Butylthio)methyl] O,O-diethyl phosphorodithioate; Phosphorodithioic acid, O,O-diethyl S-(((1,1-dimethylethyl)thio)methyl) ester; Counter 15G soil insecticide; Counter 15G soil insecticide-nematicide; S-(((1,1-Dimethylethyl)thio)methyl)-O,O-diethyl phosphorodithioate; ENT 27920; Methanethiol, (tert-butylthio)-, S-ester with O,O-diethyl phosphorodithioate; O,O-Diethyl S-[[(1,1-dimethylethyl)thio]methyl] phosphorodithioate; Aragran; Contraven; Cyanater; S-[[(1,1-Dimethylethyl)thio]methyl] O,O-diethyl phoshporodithioate; S-t-Butylthio-methyl-O,O-diethyl phosphorodithioate; Terbufos; AC 92.100
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IR Spectrum
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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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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)
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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
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| 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 | 125525 |
Gas Chromatography
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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 | 160. | 1748. | Erdmann, Rochholz, et al., 1992 | |
| Capillary | OV-1 | 190. | 1755. | Erdmann, Rochholz, et al., 1992 | |
| Capillary | OV-1 | 220. | 1777. | Erdmann, Rochholz, et al., 1992 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1783. | 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 | 1781. | 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) |
References
Go To: Top, 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.
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]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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