2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
Basic information
- CAS
7251-45-8- Standard SMILES
Nc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O- InChIKey
VWFAWXHODXORCP-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3S2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.01328453
Names & identifiers
- Preferred name
- 2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
- IUPAC
- 2-amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid
Names & synonyms
2-Amino-5-(1,3-benzothiazol-2-yl)benzenesulfonic acid7251-45-8NSC 65748NSC65748NCIOpen2_008119SCHEMBL1755157DTXSID202228282-Amino-5-(1,3-benzothiazol-2-yl)benzene-1-sulfonic acid
Database identifiers
- CAS
7251-45-8- PubChem CID
- 414969
- DTXSID
DTXSID20222828
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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