chempirical

Methyl trithion

C9H12ClO2PS3CAS 953-17-3314.80 g/mol

Open in Covalent MOL file
OPSOSSCl
Aryl halideSulfide

Properties

Molecular formula
C9H12ClO2PS3
Molar mass
314.80 g/mol
Exact mass
313.9426 Da
logP
4.64Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
953-17-3
SMILES
COP(=S)(OC)SCSc1ccc(Cl)cc1
InChIKey
OUCCVXVYGFBXSV-UHFFFAOYSA-N
InChI
InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Phosphorodithioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-dimethyl ester
  • Phosphorodithioic acid, S-[[(p-chlorophenyl)thio]methyl] O,O-dimethyl ester
  • S-[[(p-Chlorophenyl)thio]methyl] O,O-dimethyl phosphorodithioate
  • Carbophenothion methyl
  • Methyl carbophenothion
  • Stauffer R 1492
  • Trithion-methyl
  • NSC 231692

Work with Methyl trithion

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbophenothion786-19-669 % similar Anilofos64249-01-047 % similar 1-[(4-Chlorophenyl)thio]-2-propanone25784-83-237 % similar Phosmet732-11-637 % similar Thiometon640-15-336 % similar 1-Chloro-4-(methylthio)benzene123-09-135 % similar Azinphos-methyl86-50-035 % similar 4-Chlorophenyl disulfide1142-19-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook