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 |
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
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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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