Molecular properties
- Formula
- C12H16S
- Molar mass
- 192.33 g·mol−1
- Exact mass
- 192.0973 Da
- 5
- PubChem CID
- 57098428
Molecule record
2-benzylthiane
C12H16S
192.33 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Sulfide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- SCHEMBL28090
Structure identifiers
- Canonical SMILES
- c1ccc(CC2CCCCS2)cc1
- Isomeric SMILES
- C1CCSC(C1)CC2=CC=CC=C2
- InChI
- InChI=1S/C12H16S/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12H,4-5,8-10H2
- InChIKey
- ZHXGCRQDMYLAIL-UHFFFAOYSA-N
- PubChem CID
- 57098428
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 2-benzylthiane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-benzylthiane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.