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Molecule record

2-methylpropane-1-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
10558

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

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

Common names and synonyms

  • 1-Isobutanethiol
  • 1-Propanethiol, 2-methyl-
  • 2-METHYL-1-PROPANETHIOL
  • 2-METHYL-1-PROPANETHIOL [FHFI]
  • 2-Methyl propanethiol
  • 2-Methyl-1-propylthiol
  • 2-Methylpropyl mercaptan
  • 4-01-00-01605 (Beilstein Handbook Reference)
Show all 24 synonyms
  • 513-44-0
  • 9H070UFP2X
  • BDFAOUQQXJIZDG-UHFFFAOYSA-
  • BRN 1730890
  • DTXCID2040999
  • DTXSID9060156
  • EINECS 208-162-6
  • FEMA NO. 3874
  • ISOBUTYL MERCAPTAN [MI]
  • InChI=1/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
  • Isobutanethiol
  • Isobutyl mercaptan
  • Isobutyl thiol
  • Isobutylmercaptan
  • RefChem:791632
  • iso-C4H9SH

Structure identifiers

Canonical SMILES
CC(C)CS
Isomeric SMILES
CC(C)CS
InChI
InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey
BDFAOUQQXJIZDG-UHFFFAOYSA-N
PubChem CID
10558

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-1-thiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpropane-1-thiol; not experimental data.

Sources

Molecule identity

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

PubChem(link only)
Open source record
2-methylpropane-1-thiol - Formula, Structure | ChemArche