Basic information
- Standard SMILES
Cc1cccc(SCCl)c1- InChIKey
BDTYKWCBEOLDMU-UHFFFAOYSA-N- Molecular formula
- C8H9ClS
- Average molar mass
- 172.68 g/mol
Names & identifiers
- Preferred name
- 3-Methylphenyl chloromethyl sulfide
- IUPAC
- 1-(chloromethylsulfanyl)-3-methylbenzene
Names & synonyms
3-methylphenyl chloromethyl sulfide3-chloromethylthiotoluene3-(Chloromethylthio)tolueneSCHEMBL9216811BDTYKWCBEOLDMU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12840894
- Nikkaji
- J337.288J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Related reactions
7 records
Compound notes
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