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Molecule record

heptane-2-thiol

C7H16S

132.27 g/mol

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Molecular properties

Formula
C7H16S
Molar mass
132.27 g·mol−1
Exact mass
132.0973 Da
0
PubChem CID
522071

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

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

Common names and synonyms

  • (+-)-2-Heptanethiol
  • 2-HEPTANETHIOL [FHFI]
  • 2-HEPTANETHIOL, (+/-)-
  • 2-Heptylthiol
  • 2-heptane thiol
  • 2-heptanethiol
  • 2-heptanthiol
  • 613-083-9
Show all 24 synonyms
  • 628-00-2
  • AKOS006291302
  • CHEBI:169377
  • DTXCID801405776
  • DTXSID90978461
  • EN300-1288067
  • FEMA NO. 4128
  • Heptan-2-thiol
  • LD4W307RIH
  • MFCD08741456
  • NS00120917
  • RefChem:472813
  • SCHEMBL1263173
  • SCHEMBL276343
  • SCHEMBL276344
  • UNII-LD4W307RIH

Structure identifiers

Canonical SMILES
CCCCCC(C)S
Isomeric SMILES
CCCCCC(C)S
InChI
InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
DAZNOIJJVKASGS-UHFFFAOYSA-N
PubChem CID
522071

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 heptane-2-thiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for heptane-2-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