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Molecule record

1-pentylsulfanylpentane

C10H22S

174.35 g/mol

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Molecular properties

Formula
C10H22S
Molar mass
174.35 g·mol−1
Exact mass
174.1442 Da
0
PubChem CID
13382

Functional groups

Alkane / alkyl carbon
Sulfide

Physical properties

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

Common names and synonyms

  • 6-Thiaundecane
  • 61XJN3644R
  • 872-10-6
  • AI3-01368
  • Amyl sulfide
  • DIPENTYL THIOETHER
  • DTXCID6022266
  • DTXSID8042266
Show all 24 synonyms
  • Di-n-pentyl sulfide
  • Diamyl sulfide
  • Diamyl sulphide
  • Diamylsulfid
  • Dipentyl sulfide
  • Dipentyl sulphide
  • EINECS 212-820-8
  • MFCD00027275
  • PENTANE, 1-(PENTYLTHIO)-
  • Pentane, 1,1'-thiobis-
  • Pentyl sulfide
  • RefChem:586290
  • UNII-61XJN3644R
  • dipentylsulfane
  • n-Amyl sulfide
  • pentylthiopentane

Structure identifiers

Canonical SMILES
CCCCCSCCCCC
Isomeric SMILES
CCCCCSCCCCC
InChI
InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
JOZDADPMWLVEJK-UHFFFAOYSA-N
PubChem CID
13382

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-pentylsulfanylpentane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-pentylsulfanylpentane; 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