Basic information
- Standard SMILES
COC(=O)c1ccc(SCCCCl)cc1- InChIKey
DQGWJUWCIMWICE-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2S
- Average molar mass
- 244.74 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(3-chloropropylthio)benzoate
- IUPAC
- methyl 4-(3-chloropropylsulfanyl)benzoate
Names & synonyms
SCHEMBL10366608DQGWJUWCIMWICE-UHFFFAOYSA-Nmethyl 4-(3-chloropropylthio)benzoatemethyl 4-(3-chloro-propylthio)benzoate103076-46-6methyl 4-(3-chloropropylsulfanyl)benzoateMethyl 4_(3_chloropropylsulfanyl)benzoate
Database identifiers
- PubChem CID
- 13749599
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
7 records
Compound notes
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