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Molecule record

1-hexylsulfanylhexane

C12H26S

202.41 g/mol

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Molecular properties

Formula
C12H26S
Molar mass
202.41 g·mol−1
Exact mass
202.1755 Da
0
PubChem CID
80517

Functional groups

Alkane / alkyl carbon
Sulfide

Physical properties

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

Common names and synonyms

  • 1,1'-THIOBIS(HEXANE)
  • 6294-31-1
  • 7-Thiatridecane
  • AI3-18868
  • DTXCID1043592
  • DTXSID0064206
  • Di-n-hexyl sulfide
  • Di-n-hexylsulfide
Show all 24 synonyms
  • Dihexyl sulfide
  • Dihexyl sulphide
  • EINECS 228-556-1
  • Hexane, 1,1'-thiobis-
  • Hexane,1'-thiobis-
  • Hexyl sulfide
  • Hexyl sulfide (8CI)
  • MFCD00009528
  • NSC 9287
  • QGW37917VO
  • RefChem:587646
  • SFI-6R
  • dihexyl thioether
  • dihexylsulfane
  • hexylthiohexane
  • n-Hexyl sulfide

Structure identifiers

Canonical SMILES
CCCCCCSCCCCCC
Isomeric SMILES
CCCCCCSCCCCCC
InChI
InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
LHNRHYOMDUJLLM-UHFFFAOYSA-N
PubChem CID
80517

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 1-hexylsulfanylhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-hexylsulfanylhexane; 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