Dimethyl chlorothiophosphate

C₂H₆ClO₂PSCAS 2524-03-0160.55 g/mol

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Properties

Molecular formula: C₂H₆ClO₂PS
Molar mass: 160.55 g/mol
Exact mass: 159.9515 Da
Density: 1.32 g/mL (at 25 °C)
Boiling point: 66–67 °C (at 16 Torr)
logP: 1.74Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed39.2% of notifiers
H302 Harmful if swallowed60.8% of notifiers
H311 Toxic in contact with skin96.9% of notifiers
H314 Causes severe skin burns and eye damage41.2% of notifiers
H331 Toxic if inhaled39.2% of notifiers

Aggregated from 97 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

2524-03-0

SMILES

COP(=S)(Cl)OC

InChIKey

XFBJRFNXPUCPKU-UHFFFAOYSA-N

InChI

InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3

Weigh it out

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

Names and synonyms

20 names · show all

Phosphorochloridothioic acid, O,O-dimethyl ester
Methyl phosphorochloridothioate ((MeO)2ClPS)
Chlorodimethoxyphosphine sulfide
Dimethyl chlorothionophosphate
Dimethyl thiophosphorochloridate
O,O-Dimethyl phosphorochloridothioate
O,O-Dimethyl chlorothiophosphate
O,O-Dimethyl phosphorothionochloridate
O,O-Dimethyl thiophosphoric acid chloride
Dimethoxy thiophosphonyl chloride
O,O-Dimethylthionophosphoryl chloride
Dimethyl thionophosphorochloridate
O,O-Dimethyl thiophosphoryl chloride
O,O-Dimethyl chlorothionophosphate
O,O-Dimethyl thionophosphorochloridate
O,O-Dimethyl phosphorochlorothioate
Dimethyl chlorophosphorothioate
O,O-Dimethyl chlorophosphorothioate
NSC 132984
Dimethyl phosphorochloridothionate

Work with Dimethyl chlorothiophosphate

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

O,O-Diethyl phosphorochloridothioate2524-04-143 % similar O,O-Dimethyl phosphoramidothioate17321-47-036 % similar Methyl dichlorophosphate677-24-736 % similar Dimethyl dithiophosphoric acid756-80-936 % similar Dimethyl phosphorochloridate813-77-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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