1,2-Dichloroethenylsulfanylmethylbenzene
Basic information
- CAS
91085-62-0- Standard SMILES
ClC=C(Cl)SCc1ccccc1- InChIKey
GRWSOMTVEZZLOU-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2S
- Average molar mass
- 219.13 g/mol
- Monoisotopic mass
- 217.9723768
Names & identifiers
- Preferred name
- 1,2-Dichloroethenylsulfanylmethylbenzene
- IUPAC
- 1,2-dichloroethenylsulfanylmethylbenzene
Names & synonyms
DTXSID101034174
Database identifiers
- CAS
91085-62-0- PubChem CID
- 150322
- DTXSID
DTXSID101034174
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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