S-Methyl methanethiosulfonate

C₂H₆O₂S₂CAS 2949-92-0126.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₆O₂S₂
Molar mass: 126.19 g/mol
Exact mass: 125.9809 Da
Density: 1.3567 g/mL (at 0 °C)
Melting point: 117–119 °C
Boiling point: 104–105 °C (at 10 Torr)
logP: 0.31Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation96.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation96.7% of notifiers

Aggregated from 1,523 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2949-92-0

SMILES

CSS(C)(=O)=O

InChIKey

XYONNSVDNIRXKZ-UHFFFAOYSA-N

InChI

InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3

Weigh it out

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

Names and synonyms

8 names

Methanesulfonothioic acid, S-methyl ester
Methanesulfonic acid, thio-, S-methyl ester
Methyl methanethiolsulfonate
S-Methyl methanesulfonothioate
Methyl methanesulfonothioate
NSC 21545
S-Methyl methanethiolsulfonate
(Methanesulfonylsulfanyl)methane

Reactions

Reduction of sulfonyl halides with zinc powder: S-methyl methanethiosulfonate (Methanesulfonothioic acid, S-methyl ester)product

Work with S-Methyl methanethiosulfonate

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