chempirical

Chloromethylphosphonothioic dichloride

CH2Cl3PSCAS 1983-27-3183.41 g/mol

Open in Covalent MOL file
PSClClCl
Alkyl halide

Properties

Molecular formula
CH2Cl3PS
Molar mass
183.41 g/mol
Exact mass
181.8680 Da
logP
2.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
1983-27-3
SMILES
C(P(=S)(Cl)Cl)Cl
InChIKey
HRHKZXIMFUYRDS-UHFFFAOYSA-N
InChI
InChI=1S/CH2Cl3PS/c2-1-5(3,4)6/h1H2

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Names and synonyms

4 names
  • Dichloro-(chloromethyl)-sulfanylidene-lambda5-phosphane
  • (Chloromethyl)phosphonothioic dichloride
  • (Chloromethyl)phosphonothioic Acid Dichloride
  • (Chloromethyl)thiophosphoryl chloride

Reactions

Work with Chloromethylphosphonothioic dichloride

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook