chempirical

Methyl (chlorosulfenyl)formate

C2H3ClO2SCAS 26555-40-8126.55 g/mol

Open in Covalent MOL file
OOSCl

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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

8 names
  • 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 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 Methyl oxalyl chloride5781-53-333 % similar

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

Elsewhere

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