M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea
Basic information
- CAS
69504-51-4- Standard SMILES
O=C(Nc1ccccc1)Nc1nsc2ccc(Cl)cc12- InChIKey
REWGPMGNDVQXAL-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3OS
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.0233108
Names & identifiers
- Preferred name
- M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylurea
- IUPAC
- 1-(5-chloro-1,2-benzothiazol-3-yl)-3-phenylurea
Names & synonyms
69504-51-4M-(5-Chloro-1,2-benzisothiazol-3-yl)-N'-phenylureaDTXSID80989460Urea, N-(5-chloro-1,2-benzisothiazol-3-yl)-N'-phenyl-N-(5-Chloro-1,2-benzothiazol-3(2H)-ylidene)-N'-phenylcarbamimidic acid
Database identifiers
- CAS
69504-51-4- PubChem CID
- 155235
- DTXSID
DTXSID80989460
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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