2-hydrazinyl-4,5-dimethyl-1,3-thiazole hydrochloride

• ChemBase ID: 31169
• Molecular Formular: C5H10ClN3S
• Molecular Mass: 179.671
• Monoisotopic Mass: 179.02839602
• SMILES: n1c(sc(c1C)C)NN.Cl
• Canonical SMILES: NNc1sc(c(n1)C)C.Cl
• InChI: InChI=1S/C5H9N3S.ClH/c1-3-4(2)9-5(7-3)8-6;/h6H2,1-2H3,(H,7,8);1H
• InChIKey: FMKWFIFHNPWDLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4,5-dimethyl-1,3-thiazole hydrochloride
• IUPAC Traditional name: 2-hydrazinyl-4,5-dimethyl-1,3-thiazole hydrochloride
• Synonyms: (4,5-Dimethyl-thiazol-2-yl)-hydrazine hydrochloride

Database IDs

• CAS Number: 124285-37-6
• MDL Number: MFCD11506551
• PubChem SID: 160994476
• PubChem CID: 46736486

CALCULATED PROPERTIES

• Acid pKa: 16.523386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3892399
• LogD (pH = 7.4): 1.4464403
• Log P: 1.4851621
• Molar Refractivity: 40.0942 cm^3
• Polarizability: 14.212559 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false