Coenzyme M

C2H6O3S2CAS 3375-50-6142.19 g/mol

Open in Covalent MOL file
OSOHOSH
Sulfonic acidThiol

Properties

Molecular formula
C2H6O3S2
Molar mass
142.19 g/mol
Exact mass
141.9758 Da
logP
-0.20Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
3375-50-6
SMILES
O=S(=O)(O)CCS
InChIKey
ZNEWHQLOPFWXOF-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)

Weigh it out

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

Names and synonyms

7 names
  • Ethanesulfonic acid, 2-mercapto-
  • 2-Mercaptoethanesulfonic acid
  • Mercaptoethanesulfonic acid
  • β-Mercaptoethanesulfonic acid
  • 2-Mercaptoethylsulfonic acid
  • Reduced coenzyme M
  • 2-Sulfanylethanesulfonic acid

Work with Coenzyme M

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Mesna19767-45-4Salt

Similar compounds

Ethanedisulfonic acid110-04-361 % similar 1,3-Propanedisulfonic acid21668-77-955 % similar 1,4-Butanedisulfonic acid27665-39-055 % similar Isethionic acid107-36-850 % similar Taurine107-35-748 % similar Bromoethanesulfonic acid26978-65-448 % similar 1-Propanesulfonic acid5284-66-248 % similar PIPES5625-37-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia