2-hydrazinyl-4-phenyl-1,3-thiazole hydrochloride

• ChemBase ID: 251189
• Molecular Formular: C9H10ClN3S
• Molecular Mass: 227.7138
• Monoisotopic Mass: 227.02839602
• SMILES: n1c(scc1c1ccccc1)NN.Cl
• Canonical SMILES: NNc1scc(n1)c1ccccc1.Cl
• InChI: InChI=1S/C9H9N3S.ClH/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7;/h1-6H,10H2,(H,11,12);1H
• InChIKey: HVFGXXFFKPARFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-phenyl-1,3-thiazole hydrochloride
• IUPAC Traditional name: 2-hydrazinyl-4-phenyl-1,3-thiazole hydrochloride
• Synonyms: 2-hydrazino-4-phenyl-1,3-thiazole hydrochloride; (4-PHENYL-THIAZOL-2-YL)-HYDRAZINE HYDROCHLORIDE

Database IDs

• CAS Number: 17574-10-6
• MDL Number: MFCD01654157
• PubChem SID: 164307099
• PubChem CID: 2852724

CALCULATED PROPERTIES

• Acid pKa: 15.435528
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7100582
• LogD (pH = 7.4): 2.7406032
• Log P: 2.7410069
• Molar Refractivity: 55.2106 cm^3
• Polarizability: 21.613478 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): 2.755

Product Information

• Purity: 95%; 98%
• Salt Data: HCl