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Molecule record

2-propan-2-ylsulfanylpropane

C6H14S

118.24 g/mol

Loading structure

Molecular properties

Formula
C6H14S
Molar mass
118.24 g·mol−1
Exact mass
118.0816 Da
0
PubChem CID
12264

Functional groups

Alkane / alkyl carbon
Sulfide

Physical properties

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

Common names and synonyms

  • (i-C3H7)2S
  • 2,2'-Thiobispropane
  • 2,2'-thiodipropane
  • 2,4-DIMETHYL-3-THIAPENTANE
  • 2-(Isopropylsulfanyl)propane
  • 2-(propan-2-ylthio)propane
  • 625-80-9
  • DTXCID7043376
Show all 24 synonyms
  • DTXSID0060808
  • Di-iso-propyl sulfane
  • Diisopropyl sulfide
  • Diisopropyl sulphide
  • EINECS 210-911-7
  • InChI=1/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H
  • Isopropyl sulfide
  • Isopropyl sulphide
  • MFCD00008895
  • NSC 75121
  • Propane, 2,2'-thiobis-
  • Propane,2'-thiobis-
  • RefChem:134074
  • XYWDPYKBIRQXQS-UHFFFAOYSA-N
  • di-isopropyl sulfide
  • diisopropylsulfane

Structure identifiers

Canonical SMILES
CC(C)SC(C)C
Isomeric SMILES
CC(C)SC(C)C
InChI
InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey
XYWDPYKBIRQXQS-UHFFFAOYSA-N
PubChem CID
12264

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 2-propan-2-ylsulfanylpropane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-propan-2-ylsulfanylpropane; 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