Basic information
- CAS
5894-03-1- Standard SMILES
Nc1nc(N)c(-c2ccccc2)s1.O=S(=O)(O)c1ccccc1- InChIKey
WIYRYNULUZVVFY-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3S2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.0554837
Names & identifiers
- Preferred name
- Thiazole, 2,4-diamino-5-phenyl-, benzenesulfonate
- IUPAC
- benzenesulfonic acid;5-phenyl-1,3-thiazole-2,4-diamine
Names & synonyms
2,4-Diamino-5-phenylthiazole benzenesulfonateNSC 58211Thiazole, 2,4-diamino-5-phenyl-, benzenesulfonate5894-03-1DTXSID70207680Benzenesulfonate of 2,4-diamino-5-phenylthiazole2,4-Thiazolediamine, 5-phenyl-, benzenesulfonateRefChem:384498DTXCID20130171Benzenesulfonic acid, compd. with 2,4-diamino-5-phenylthiazole (1:1) (8CI)Benzenesulfonic acid, compd. with 5-phenyl-2,4-thiazolediamine (1:1) (9CI)NSC58211
Show more names
NSC-58211Benzenesulfonic acid,4-thiazolediamine (1:1)Benzenesulfonic acid,4-diamino-5-phenylthiazole (1:1)Benzenesulfonic acid--5-phenyl-1,3-thiazole-2,4-diamine (1/1)
Database identifiers
- CAS
5894-03-1- PubChem CID
- 201388
- DTXSID
DTXSID70207680
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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