Molecule record

2-methylpropane-2-thiol

C4H10S

90.19 g/mol

Loading structure

Molecular properties

Formula
C4H10S
Molar mass
90.19 g·mol−1
Exact mass
90.0503 Da
0
PubChem CID
6387

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1,1-Dimethylethanethiol
  • 16203-42-2 (Li salt)
  • 16528-55-5
  • 2-Isobutanethiol
  • 2-Methyl-2-propanethiol
  • 2-Propanethiol, 2-methyl-
  • 2-methyl-propane-2-thiol
  • 200-890-2
Show all 24 synonyms
  • 32812-86-5 (Pb(2+) salt)
  • 3374-16-1
  • 4792-91-0 (Cu(1+) salt)
  • 489PW92WIV
  • 75-66-1
  • DTXSID0026418
  • MFCD00004857
  • RefChem:88048
  • T-BUTYL MERCAPTAN
  • Tertiary Butyl Mercaptan
  • t-Butylmercaptan
  • tert-Butanethiol
  • tert-Butyl mercaptan
  • tert-Butylmercaptan
  • tert-Butylthiol
  • tert-butyl thiol

Structure identifiers

Canonical SMILES
CC(C)(C)S
Isomeric SMILES
CC(C)(C)S
InChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChIKey
WMXCDAVJEZZYLT-UHFFFAOYSA-N
PubChem CID
6387

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 2-methylpropane-2-thiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpropane-2-thiol; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record