Basic information
- CAS
647824-97-3- Standard SMILES
CSc1ccccc1NC(=O)NCCCCCCl- InChIKey
GJHBZMUGCTXQOV-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2OS
- Average molar mass
- 286.82 g/mol
- Monoisotopic mass
- 286.0906621
Names & identifiers
- Preferred name
- 1-(5-Chloropentyl)-3-(2-methylsulfanylphenyl)urea
- IUPAC
- 1-(5-chloropentyl)-3-(2-methylsulfanylphenyl)urea
Names & synonyms
647824-97-31-(5-chloropentyl)-3-(2-methylsulfanylphenyl)ureaN-(5-chloropentyl)-N'-[2-(methylthio)phenyl]urea1-(5-Chloropentyl)-3-(2-(methylthio)phenyl)ureaDTXSID00380339N-(5-Chloropentyl)-N'-[2-(methylsulfanyl)phenyl]urea
Database identifiers
- CAS
647824-97-3- PubChem CID
- 2777032
- DTXSID
DTXSID00380339
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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