Molecular properties
- Formula
- C11H14S
- Molar mass
- 178.30 g·mol−1
- Exact mass
- 178.0816 Da
- 5
- PubChem CID
- 12204675
Molecule record
2-benzylthiolane
C11H14S
178.30 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
- 2-benzyltetrahydrothiophene
- 51707-45-0
- DTXSID00480368
- SCHEMBL8998
- Thiophene, tetrahydro-2-(phenylmethyl)-
Structure identifiers
- Canonical SMILES
- c1ccc(CC2CCCS2)cc1
- Isomeric SMILES
- C1CC(SC1)CC2=CC=CC=C2
- InChI
- InChI=1S/C11H14S/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11H,4,7-9H2
- InChIKey
- OYEOJUVKXAZHDA-UHFFFAOYSA-N
- PubChem CID
- 12204675
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-benzylthiolane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-benzylthiolane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.