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Molecule record

butane-2-thiol

C4H10S

90.19 g/mol

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Molecular properties

Formula
C4H10S
Molar mass
90.19 g·mol−1
Exact mass
90.0503 Da
0
PubChem CID
10560

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

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

Common names and synonyms

  • 1Methyl1propanethiol
  • 2-BUTANETHIOL, (+-)-
  • 2-Butanethiol
  • 2-Butylthiol
  • 2Butyl mercaptan
  • 2Butylmercaptan
  • 2butanethiol
  • 2mercaptobutane
Show all 24 synonyms
  • 3-METHYL-2-PROPANETHIOL
  • 513-53-1
  • DTXCID9021396
  • DTXSID1041396
  • EINECS 208-165-2
  • HSDB 1610
  • NSC-78417
  • RefChem:85920
  • SEC-BUTYL MERCAPTAN
  • SEC-BUTYL MERCAPTAN [HSDB]
  • SEC-BUTYL MERCAPTAN [MI]
  • UNII-Y2D731QBYN
  • sec-C4H9SH
  • secButanethiol
  • secButyl thioalcohol
  • secButyl thiol

Structure identifiers

Canonical SMILES
CCC(C)S
Isomeric SMILES
CCC(C)S
InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey
LOCHFZBWPCLPAN-UHFFFAOYSA-N
PubChem CID
10560

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 butane-2-thiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for butane-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.

PubChem(link only)
Open source record