2-(3-Aminophenyl)-6-hydroxynaphtho[2,1-d]thiazole-8-sulfonic acid
Basic information
- CAS
6259-71-8- Standard SMILES
Nc1cccc(-c2nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3s2)c1- InChIKey
GSHJCYVVFAXVOS-UHFFFAOYSA-N- Molecular formula
- C17H12N2O4S2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.02384922
Names & identifiers
- Preferred name
- 2-(3-Aminophenyl)-6-hydroxynaphtho[2,1-d]thiazole-8-sulfonic acid
- IUPAC
- 2-(3-aminophenyl)-6-hydroxybenzo[g][1,3]benzothiazole-8-sulfonic acid
- English name
- 2-(3-aminophenyl)-6-hydroxynaphtho[2,1-d]thiazole-8-sulfonic acid
- Molecular formula
- C17H12N2O4S2
- Molecular weight
- 372.42
Names & synonyms
6259-71-82-(3-aminophenyl)-6-hydroxynaphtho[2,1-d]thiazole-8-sulfonic acid2-(3-aminophenyl)-6-hydroxybenzo[g][1,3]benzothiazole-8-sulfonic acidNSC507219DTXSID10325433NSC-507219Naphtho[2, 2-(3-aminophenyl)-6-hydroxy-Naphtho[2, 2-(m-aminophenyl)-6-hydroxy-2-(3-AMINOPHENYL)-6-HYDROXYNAPHTHO[2,1-D][1,3]THIAZOLE-8-SULFONIC ACIDNaphtho[2,1-d]thiazole-8-sulfonic acid, 2-(3-aminophenyl)-6-hydroxy-
Database identifiers
- CAS
6259-71-8- PubChem CID
- 350103
- DTXSID
DTXSID10325433
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Density
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- pka
- -0.31 · -0.31±0.30(Predicted)
Chemistry & industry
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