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Molecule record

hexane-1-thiol

C6H14S

118.24 g/mol

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Molecular properties

Formula
C6H14S
Molar mass
118.24 g·mol−1
Exact mass
118.0816 Da
0
PubChem CID
8106

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

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

Common names and synonyms

  • 1-HEXANETHIOL
  • 1-HEXANETHIOL [FHFI]
  • 1Hexylthiol
  • 1KH2129A0Q
  • 1Mercaptohexane
  • 1hexanethiol
  • 4-01-00-01705 (Beilstein Handbook Reference)
  • BRN 1731295
Show all 24 synonyms
  • DTXCID4030126
  • DTXSID0051574
  • EINECS 203-857-0
  • FEMA 3842
  • FEMA NO. 3842
  • Hexanethiol
  • Hexyl mercaptan
  • Mercaptan C6
  • NSC 99106
  • PMBXCGGQNSVESQ-UHFFFAOYSA-N
  • RefChem:75915
  • UNII-1KH2129A0Q
  • USAF EK-4628
  • n-Hexanethiol
  • n-Hexylmercaptan
  • nHexyl mercaptan

Structure identifiers

Canonical SMILES
CCCCCCS
Isomeric SMILES
CCCCCCS
InChI
InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey
PMBXCGGQNSVESQ-UHFFFAOYSA-N
PubChem CID
8106

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 hexane-1-thiol; not experimental data.

Simulated EI mass spectrum

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

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record