chempirical

Chlormephos

C5H12ClO2PS2CAS 24934-91-6234.69 g/mol

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OPSOSCl
Alkyl halide

Properties

Molecular formula
C5H12ClO2PS2
Molar mass
234.69 g/mol
Exact mass
233.9705 Da
Density
1.26 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
81–85 °C (at 0.1 Torr)
logP
3.21Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
24934-91-6
SMILES
CCOP(=S)(OCC)SCCl
InChIKey
QGTYWWGEWOBMAK-UHFFFAOYSA-N
InChI
InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3

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

Names and synonyms

7 names
  • Phosphorodithioic acid, S-(chloromethyl) O,O-diethyl ester
  • S-Chloromethyl O,O-diethyl phosphorothiolothionate
  • MC 2188
  • O,O-Diethyl S-(chloromethyl) dithiophosphate
  • Chlormethylfos
  • Dotan
  • Chlormephos-ethyl

Work with Chlormephos

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

Ethion563-12-265 % similar Phorate298-02-255 % similar Disulfoton298-04-453 % similar Terbufos13071-79-952 % similar Carbophenothion786-19-646 % similar Dioxathion78-34-245 % similar Prothoate2275-18-543 % similar O,O-Diethyl phosphorochloridothioate2524-04-141 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia