Molecule record

methanethiol

CH4S

48.11 g/mol

2D structure for methanethiol

Molecular properties

Formula
CH4S
Molar mass
48.11 g·mol−1
Exact mass
48.0034 Da
0
1
1
1.00 Ų
0.5 (PubChem computed XLogP3-AA descriptor)
CAS
74-93-1
PubChem CID
878

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Thiol

Physical properties

PropertyValueConditionsSource
Logp0.5PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 200-822-1
  • 2X8406WW9I
  • 74-93-1
  • CHEBI:16007
  • DTXCID406382
  • DTXSID5026382
  • FEMA No. 2716
  • METHYL MERCAPTAN
Show all 23 synonyms
  • Mercaptan methylique
  • Mercaptomethane
  • Methaanthiol
  • Methanthiol
  • Methvtiolo
  • Methyl sulfhydrate
  • Methylmercaptaan
  • Methylmercaptan
  • Metilmercaptano
  • RCRA waste number U153
  • RefChem:156950
  • Thiomethane
  • Thiomethanol
  • Thiomethyl alcohol
  • methanethiolate

Structure identifiers

Canonical SMILES
CS
Isomeric SMILES
CS
InChI
InChI=1S/CH4S/c1-2/h2H,1H3
InChIKey
LSDPWZHWYPCBBB-UHFFFAOYSA-N
PubChem CID
878

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for methanethiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methanethiol; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record
methanethiol - Formula, Structure, Properties | ChemArche