Basic information
- CAS
5431-22-1- Standard SMILES
Cl.N=c1nc(N)nc(N)n1-c1ccc(S(N)(=O)=O)cc1- InChIKey
QCTHIHRXPGZSLI-UHFFFAOYSA-N- Molecular formula
- C9H12ClN7O2S
- Average molar mass
- 317.76 g/mol
- Monoisotopic mass
- 317.0461715
Names & identifiers
- Preferred name
- 4-(2,4-Diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide;hydrochloride
- IUPAC
- 4-(2,4-diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide;hydrochloride
Names & synonyms
NSC13572NSC-13572CHEMBL1973496
Database identifiers
- CAS
5431-22-1- PubChem CID
- 54599166
- ChEMBL
CHEMBL1973496
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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