Molecular properties
- Formula
- C16H34S
- Molar mass
- 258.51 g·mol−1
- Exact mass
- 258.2381 Da
- 0
- PubChem CID
- 75901
Molecule record
1-octylsulfanyloctane
C16H34S
258.51 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
- 1-(1-Octylthio)octane
- 2690-08-6
- 9-Thiaheptadecane
- 9Thiaheptadecane
- AI3-12172
- Bis(1-octyl) sulfide
- DIOCTYLSULFANE
- DTXCID3037593
Show all 24 synonyms
- DTXSID1062594
- Di-n-octyl sulfide
- Di-n-octyl thioether
- Dinormal octyl sulfide
- Dioctyl sulfide
- Dioctyl sulphide
- Dioctyl thioether
- EINECS 220-259-5
- KWB0X6Z9EG
- NSC 65459
- Octane, 1,1'-thiobis-
- Octane, 1,1'thiobis
- Octyl sulfide
- Octyl sulfide (8CI)
- Orfom DNOS (Developmental)
- RefChem:588726
Structure identifiers
- Canonical SMILES
- CCCCCCCCSCCCCCCCC
- Isomeric SMILES
- CCCCCCCCSCCCCCCCC
- InChI
- InChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChIKey
- LOXRGHGHQYWXJK-UHFFFAOYSA-N
- PubChem CID
- 75901
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-octylsulfanyloctane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-octylsulfanyloctane; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.