Molecular properties
- Formula
- C7H8S
- Molar mass
- 124.21 g·mol−1
- Exact mass
- 124.0347 Da
- 4
- PubChem CID
- 7520
Molecule record
methylsulfanylbenzene
C7H8S
124.21 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
- (1-Thiaethyl)benzene
- (Methylthio)benzene
- 1-Phenyl-1-thiaethane
- 100-68-5
- 202-878-2
- Anisole, thio-
- BB4K737YF4
- Benzene, (methylthio)-
Show all 24 synonyms
- CHEBI:134281
- DTXCID9032458
- DTXSID8059217
- FEMA NO. 3873
- METHYLPHENYLSULFIDE
- Methyl phenyl sulfide
- Methyl phenyl sulphide
- Methyl phenyl thioether
- Methyl phenylsulfide
- NSC-57916
- Phenyl methyl sulfide
- Phenylthiomethane
- RefChem:818675
- Sulfide, methyl phenyl (6CI,8CI)
- Thioanisol
- Thioanisole
Structure identifiers
- Canonical SMILES
- CSc1ccccc1
- Isomeric SMILES
- CSC1=CC=CC=C1
- InChI
- InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
- InChIKey
- HNKJADCVZUBCPG-UHFFFAOYSA-N
- PubChem CID
- 7520
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 methylsulfanylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methylsulfanylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.