Basic information
- CAS
105777-87-5- Standard SMILES
O=C(Nc1cccc(Cl)c1)Nc1nsc2ccc(Cl)cc12- InChIKey
DHFQYLONKUOXLT-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-(3-chlorophenyl)urea
- IUPAC
- 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
Names & synonyms
1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea105777-87-5DTXSID50147338N-(5-Chloro-1,2-benzothiazol-3-yl)-N'-(3-chlorophenyl)urea
Database identifiers
- CAS
105777-87-5- PubChem CID
- 184584
- DTXSID
DTXSID50147338
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
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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