1-Chloro-4-[(2-chloro-2-cyclopropylpropyl)sulfanyl]benzene
Basic information
- CAS
66949-05-1- Standard SMILES
CC(Cl)(CSc1ccc(Cl)cc1)C1CC1- InChIKey
YLLBZWMRKRRCKO-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2S
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 260.019327
Names & identifiers
- Preferred name
- 1-Chloro-4-[(2-chloro-2-cyclopropylpropyl)sulfanyl]benzene
- IUPAC
- 1-chloro-4-(2-chloro-2-cyclopropylpropyl)sulfanylbenzene
Names & synonyms
66949-05-1DTXSID005744781-Chloro-4-[(2-chloro-2-cyclopropylpropyl)sulfanyl]benzene
Database identifiers
- CAS
66949-05-1- PubChem CID
- 15568730
- DTXSID
DTXSID00574478
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
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Compound notes
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