Basic information
- CAS
73713-88-9- Standard SMILES
Oc1ccc(NC[NH+]2C(=S)Sc3ccccc32)cc1.[Cl-]- InChIKey
GFHGXYFPFUPDMZ-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2OS2
- Average molar mass
- 324.9 g/mol
- Monoisotopic mass
- 324.0157831
Overview
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Names & identifiers
- Preferred name
- 3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride
- IUPAC
- 3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione chloride
Names & synonyms
3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride73713-88-9NSC 875962-BENZOTHIAZOLINETHIONE, 3-(p-HYDROXYPHENYLAMINOMETHYL)-, HYDROCHLORIDE2(3H)-Benzothiazolethione, 3-(((4-hydroxyphenyl)amino)methyl)-, monohydrochloride3-[(4-hydroxyanilino)methyl]-3H-1,3-benzothiazol-3-ium-2-thione;chloride
Database identifiers
- CAS
73713-88-9- PubChem CID
- 52282
Properties
Computed structural properties
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
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Compound notes
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