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Molecule record

heptane-1-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
15422

Functional groups

Alkane / alkyl carbon
Thiol

Physical properties

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

Common names and synonyms

  • 1-HEPTANETHIOL
  • 1-heptylthiol
  • 380ZE61GR2
  • 4-01-00-01738 (Beilstein Handbook Reference)
  • BRN 1731687
  • DTXCID8035263
  • DTXSID3061841
  • EINECS 216-678-8
Show all 24 synonyms
  • FEMA NO. 4259
  • HEPTANE-1-THIOL [FHFI]
  • Heptyl mercaptan
  • Heptyl thiol
  • Heptylthiol
  • NSC 71119
  • Normal-heptyl mercaptan
  • RefChem:75859
  • UNII-380ZE61GR2
  • USAF EK-2122
  • VPIAKHNXCOTPAY-UHFFFAOYSA-N
  • n-HEPTYL MERCAPTAN
  • n-Heptylmercaptan
  • n-Thioheptyl alcohol
  • n-heptanethiol
  • nHeptylmercaptan

Structure identifiers

Canonical SMILES
CCCCCCCS
Isomeric SMILES
CCCCCCCS
InChI
InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
VPIAKHNXCOTPAY-UHFFFAOYSA-N
PubChem CID
15422

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-1-thiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for heptane-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
heptane-1-thiol - Formula, Structure | ChemArche