Basic information
- Standard SMILES
CSc1ccc(OCCCCl)cc1- InChIKey
QPLCIAKHZWUUDN-UHFFFAOYSA-N- Molecular formula
- C10H13ClOS
- Average molar mass
- 216.73 g/mol
Names & identifiers
- Preferred name
- Benzene, 1-(3-chloropropoxy)-4-(methylthio)-
- IUPAC
- 1-(3-chloropropoxy)-4-methylsulfanylbenzene
Names & synonyms
Benzene, 1-(3-chloropropoxy)-4-(methylthio)-7035-53-2SCHEMBL10461425QPLCIAKHZWUUDN-UHFFFAOYSA-NAKOS0129588341-(3-chloropropoxy)-4-methylthiobenzene1-chloro-3-[4-(methylthio)phenoxy]propane
Database identifiers
- PubChem CID
- 12928626
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
Related reactions
5 records
Compound notes
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