Carbamothioic acid, bis(1-methylethyl)-, S-(2,3-dichloro-2-propenyl) ester

Formula: C₁₀H₁₇Cl₂NOS
Molecular weight: 270.219
IUPAC Standard InChI: InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
IUPAC Standard InChIKey: SPANOECCGNXGNR-UITAMQMPSA-N
CAS Registry Number: 2303-16-4
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.
Species with the same structure:
- trans-Diallate
Stereoisomers:
- cis-Diallate
Other names: Diallate; Carbamic acid, diisopropylthio-, S-(2,3-dichloroallyl) ester; Avadex; CP 15336; DATC; S-(2,3-Dichloroallyl) Diisopropylthiocarbamate; 2,3-Dichloroallyl N,N-diisopropylthiolcarbamate; 2,3-DCDT; Bis(1-methylethyl) carbamothioic acid, S-(2,3-dichloro-2-propenyl)ester; CP 15,336; Diallaat; Diallat; S-(2,3-Dichlor-allyl)-N,N-diisopropyl-monothiocarbamaat; 2,3-Dichlorallyl-N,N-(diisopropyl)-thiocarbamate; S-(2,3-Dichloro-allil)-N,N-diisopropil-monotiocarbammato; Dichloroallyl diisopropylthiocarbamate; 2,3-Dichloro-2-propene-1-thiol, diisopropylcarbamate; Diisopropylthiocarbamic acid, S-(2,3-dichloroallyl) ester; Di-isopropylthiolocarbamate de S-(2,3-dichloro allyle); 2-Propene-1-thiol, 2,3-dichloro-, diisopropylcarbamate; Pyradex; Rcra waste number U062; Avadex II; Avadex I
Information on this page:
Other data available:
- IR Spectrum
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1702.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C
Capillary	DB-1	1713.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C
Capillary	DB-5	1704.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C
Capillary	DB-5	1720.	Hall, Whitehead, et al., 1986	He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; T_start: 100. C; T_end: 270. C

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	285.04	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T_end: 310. C
Capillary	DB-5MS	287.02	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T_end: 310. C

References

Go To: Top, Gas Chromatography, Notes

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]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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