1,3-Benzothiazole-2,5,6-triamine
Basic information
- CAS
313241-12-2- Standard SMILES
Nc1nc2cc(N)c(N)cc2s1- InChIKey
ZSMYJGCJPKZCJJ-UHFFFAOYSA-N- Molecular formula
- C7H8N4S
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.04696745
Names & identifiers
- Preferred name
- 1,3-Benzothiazole-2,5,6-triamine
- IUPAC
- 1,3-benzothiazole-2,5,6-triamine
Names & synonyms
1,3-benzothiazole-2,5,6-triamine313241-12-2SCHEMBL5536465DTXSID90356503AKOS0006366062,5-diamino-1,3-benzothiazol-6-ylamineAG-690/36008006
Database identifiers
- CAS
313241-12-2- PubChem CID
- 825151
- DTXSID
DTXSID90356503
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
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Compound notes
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