Methyl (chlorosulfenyl)formate

C₂H₃ClO₂SCAS 26555-40-8126.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃ClO₂S
Molar mass: 126.55 g/mol
Exact mass: 125.9542 Da
Boiling point: 67–69 °C (at 75 Torr)
logP: 1.64Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor97.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

26555-40-8

SMILES

COC(=O)SCl

InChIKey

TXJXPZVVSLAQOQ-UHFFFAOYSA-N

InChI

InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

Weigh it out

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

Names and synonyms

9 names

Thiocarbonic acid, anhydrosulphide with methyl thiohypochlorite
Carbonothioic acid, anhydrosulfide with thiohypochlorous acid (1:1), methyl ester
Carbonic acid, thio-, anhydrosulfide with thiohypochlorous acid, methyl ester
Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-methyl ester
Thiohypochlorous acid, anhydrosulfide with O-methyl thiocarbonate
Methoxycarbonylsulfenyl chloride
Carbomethoxysulfenyl chloride
(Chlorothio)(methoxy)oxomethane
(Chlorosulfanyl)(methoxy)methanone

Work with Methyl (chlorosulfenyl)formate

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

Methyl chloroformate79-22-138 % similar Dimethyl oxalate553-90-236 % similar Dimethyl carbonate616-38-636 % similar (Chlorocarbonyl)sulfenyl chloride2757-23-535 % similar Methyl dichloroacetate116-54-133 % similar 1,1'-Dimethyl 2,2'-thiobis(acetate)16002-29-233 % similar Dimethyl chloromalonate28868-76-033 % similar Dimethyl dicarbonate4525-33-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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