Methanesulfinyl chloride

CH3ClOSCAS 676-85-798.54 g/mol

Open in Covalent MOL file
SOCl

Properties

Molecular formula
CH3ClOS
Molar mass
98.54 g/mol
Exact mass
97.9593 Da
logP
0.52Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 2 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
676-85-7
SMILES
CS(=O)Cl
InChIKey
LURSUHVHQZXABT-UHFFFAOYSA-N
InChI
InChI=1S/CH3ClOS/c1-4(2)3/h1H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.60 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 31.4.
[M + H]+
[M + H]+ Calcd for CH4ClOS 98.9666
[M + Na]+
[M + Na]+ Calcd for CH3ClNaOS 120.9485
[M − H]−
[M − H]− Calcd for CH2ClOS 96.9520
Elemental analysis
Anal. Calcd for CH3ClOS: C, 12.19; H, 3.07; S, 32.53.

Weigh it out

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

Names and synonyms

4 names
  • Methansulfinylchlorid
  • Methylsulphinyl chloride
  • Methanesulphinyl chloride
  • Methane sulfinyl chloride

Reactions

Work with Methanesulfinyl chloride

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

Dimethyl sulfoxide67-68-531 % similar Thionyl chloride7719-09-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook