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Home Halogens Phosphorothioic acid, O-[[(2-chlorophenyl)cyanomethylene]azanyl] O,O-diethyl ester

Phosphorothioic acid, O-[[(2-chlorophenyl)cyanomethylene]azanyl] O,O-diethyl ester

CAS No.:
14816-20-7
Catalog Number:
AG001FHK
Molecular Formula:
C12H14ClN2O3PS
Molecular Weight:
332.7429
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Product Description
Catalog Number:
AG001FHK
Chemical Name:
Phosphorothioic acid, O-[[(2-chlorophenyl)cyanomethylene]azanyl] O,O-diethyl ester
CAS Number:
14816-20-7
Molecular Formula:
C12H14ClN2O3PS
Molecular Weight:
332.7429
MDL Number:
MFCD00078643
IUPAC Name:
2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide
InChI:
InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3
InChI Key:
GQKRUMZWUHSLJF-UHFFFAOYSA-N
SMILES:
CCOP(=S)(ON=C(c1ccccc1Cl)C#N)OCC
EC Number:
238-888-9
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.015g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.739g/mol
Monoisotopic Mass:
332.015g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
5  
Literature
Title Journal
Insecticide control of vector-borne diseases: when is insecticide resistance a problem? PLoS pathogens 20100801
Longitudinal trends in organophosphate incidents reported to the National Pesticide Information Center, 1995-2007. Environmental health : a global access science source 20090101
Properties