Molecular properties
- Formula
- C22H46S
- Molar mass
- 342.68 g·mol−1
- Exact mass
- 342.3320 Da
- 0
- PubChem CID
- 292595
Molecule record
1-undecylsulfanylundecane
C22H46S
342.68 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Sulfide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 35599-82-7
- AKOS024333841
- DTXCID80254600
- DTXSID60303468
- Diundecyl sulfide
- Diundecylsulfane
- NSC-158438
- NSC158438
Show all 15 synonyms
- RDOYGXODZMRGKD-UHFFFAOYSA-N
- RefChem:193115
- SCHEMBL867502
- Undecane, 1-(undecylthio)-
- Undecane,1-(undecylthio)-
- Undecyl sulfide
- starbld0016593
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCSCCCCCCCCCCC
- Isomeric SMILES
- CCCCCCCCCCCSCCCCCCCCCCC
- InChI
- InChI=1S/C22H46S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- InChIKey
- RDOYGXODZMRGKD-UHFFFAOYSA-N
- PubChem CID
- 292595
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-undecylsulfanylundecane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-undecylsulfanylundecane; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.