Home Other Building Blocks Phosphorodithioic acid, O,O,S-trimethyl ester

Phosphorodithioic acid, O,O,S-trimethyl ester

CAS No.:
2953-29-9
Catalog Number:
AG002YO5
Molecular Formula:
C3H9O2PS2
Molecular Weight:
172.2061
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Product Description
Catalog Number:
AG002YO5
Chemical Name:
Phosphorodithioic acid, O,O,S-trimethyl ester
CAS Number:
2953-29-9
Molecular Formula:
C3H9O2PS2
Molecular Weight:
172.2061
MDL Number:
MFCD01705166
IUPAC Name:
dimethoxy-methylsulfanyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C3H9O2PS2/c1-4-6(7,5-2)8-3/h1-3H3
InChI Key:
ILDHFYGNYDICFB-UHFFFAOYSA-N
SMILES:
COP(=S)(SC)OC
EC Number:
608-373-7
UNII:
8OW97X1U88
Properties
Complexity:
97.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.978g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.197g/mol
Monoisotopic Mass:
171.978g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Structural determination of molecular stereochemistry using VCD spectroscopy and a conformational code: absolute configuration and solution conformation of a chiral liquid pesticide, (R)-(+)-malathion. Chirality 20090101
Inhibition of AChE by malathion and some structurally similar compounds. Journal of enzyme inhibition and medicinal chemistry 20080801
Major congenital malformations and residential proximity to a regional industrial park including a national toxic waste site: an ecological study. Environmental health : a global access science source 20060101
[Detection of O,O,S-trimethyl phosphorodithioate, an impurity in phenthoate (PAP), in komatsuna]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20010601
Cell-specific loss of cytochrome P450 2B1 in rat lung following treatment with pneumotoxic and non-pneumotoxic trialkylphosphorothioates. Biochemical pharmacology 20010215
1-Nitronaphthalene toxicity in rat lung and liver: effects of inhibiting and inducing cytochrome P450 activity. Toxicology and applied pharmacology 19931001
Protection against chemical-induced lung injury by inhibition of pulmonary cytochrome P-450. Environmental health perspectives 19900401
Properties