Basic information
- CAS
5925-63-3- Standard SMILES
CSCCc1ccccc1- InChIKey
HGRRXPWBICNVPC-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597156
Names & identifiers
- Preferred name
- Benzene, [2-(methylthio)ethyl]-
- IUPAC
- 2-methylsulfanylethylbenzene
- English name
- METHYL 2-PHENYLETHYL SULFIDE
- Molecular formula
- C9H12S
- Molecular weight
- 152.26
Names & synonyms
Benzene, [2-(methylthio)ethyl]-5925-63-3DTXSID10338321Benzene, (2-(methylthio)ethyl)-RefChem:323113DTXCID70289406HGRRXPWBICNVPC-UHFFFAOYSA-N[2-(Methylsulfanyl)ethyl]benzeneMETHYL 2-PHENYLETHYL SULFIDE2-methylsulfanylethylbenzene2-phenylethyl methyl sulfideSCHEMBL273439
Show more names
SCHEMBL273440SCHEMBL5645870SCHEMBL6553087CHEMBL4470985SCHEMBL10967180SCHEMBL11553597[2-(Methylsulfanyl)ethyl]benzene #DB-225315
Database identifiers
- CAS
5925-63-3- PubChem CID
- 548384
- DTXSID
DTXSID10338321- ChEMBL
CHEMBL4470985- Nikkaji
- J1.059.573H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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