Molecular properties
- Formula
- C6H6S
- Molar mass
- 110.18 g·mol−1
- Exact mass
- 110.0190 Da
- 4
- PubChem CID
- 7969
Molecule record
benzenethiol
C6H6S
110.18 g/mol
Loading structure
Functional groups
Aromatic ring
Thiol
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 108-98-5
- 16528-57-7
- 203-635-3
- 7K011JR4T0
- Benzene, mercapto-
- CAS-108-98-5
- CHEBI:48498
- DTXCID906811
Show all 24 synonyms
- DTXSID7026811
- FEMA No. 3616
- MFCD00004826
- Mercaptobenzene
- NSC-6953
- Phenol, thio-
- Phenyl mercaptan
- Phenylmercaptan
- Phenylthiol
- RCRA waste number P014
- RefChem:118114
- THIOPHENOL
- Thiofenol
- Thiofenol [Czech]
- USAF XR-19
- thiophenate
Structure identifiers
- Canonical SMILES
- Sc1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)S
- InChI
- InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
- InChIKey
- RMVRSNDYEFQCLF-UHFFFAOYSA-N
- PubChem CID
- 7969
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 benzenethiol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for benzenethiol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.