1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
Basic information
- CAS
105777-88-6- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1nsc2ccc(Cl)cc12- InChIKey
RXGHJJITCFSLHN-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2N3OS
- Average molar mass
- 338.2 g/mol
- Monoisotopic mass
- 336.9843385
Names & identifiers
- Preferred name
- 1-(5-Chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
- IUPAC
- 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
Names & synonyms
1-(5-chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea105777-88-6DTXSID10147339N-(5-Chloro-1,2-benzothiazol-3-yl)-N'-(4-chlorophenyl)urea
Database identifiers
- CAS
105777-88-6- PubChem CID
- 184585
- DTXSID
DTXSID10147339
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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