ChemArche
Sign inAccount

Molecule record

1-heptylsulfanylheptane

C14H30S

230.46 g/mol

Loading structure

Molecular properties

Formula
C14H30S
Molar mass
230.46 g·mol−1
Exact mass
230.2068 Da
0
PubChem CID
69422

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[heptane]
  • 1-(Heptylsulfanyl)heptane #
  • 211-101-6
  • 629-65-2
  • AI3-18867
  • DTXCID2043581
  • DTXSID3060879
  • Diheptyl sulfide
Show all 24 synonyms
  • Diheptyl sulphide
  • EINECS 211-101-6
  • G6CCC2QR5A
  • HEPTYLSULFIDE
  • Heptane, 1,1'-thiobis-
  • Heptane, 1,1'thiobis
  • Heptyl sulfide
  • MFCD00027315
  • RefChem:783652
  • SBB060113
  • SCHEMBL460167
  • SCHEMBL7837988
  • di-n-Heptyl sulfide
  • diheptylsulfane
  • heptylthioheptane
  • n-Heptyl sulfide

Structure identifiers

Canonical SMILES
CCCCCCCSCCCCCCC
Isomeric SMILES
CCCCCCCSCCCCCCC
InChI
InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey
LEMIDOZYVQXGLI-UHFFFAOYSA-N
PubChem CID
69422

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-heptylsulfanylheptane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-heptylsulfanylheptane; 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