Basic information
- CAS
62781-88-8- Standard SMILES
NC(=S)Nc1ccc2nsnc2c1Cl- InChIKey
QCFGIJDLQHINGA-UHFFFAOYSA-N- Molecular formula
- C7H5ClN4S2
- Average molar mass
- 244.7 g/mol
- Monoisotopic mass
- 243.9644162
Names & identifiers
- Preferred name
- N-(4-Chloro-2,1,3-benzothiadiazol-5-yl)thiourea
- IUPAC
- (4-chloro-2,1,3-benzothiadiazol-5-yl)thiourea
Names & synonyms
62781-88-8N-(4-Chloro-2,1,3-benzothiadiazol-5-yl)thioureaSCHEMBL11469620DTXSID80633274
Database identifiers
- CAS
62781-88-8- PubChem CID
- 23347366
- DTXSID
DTXSID80633274
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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