5-hydrazinyl-3-(thiophen-2-yl)-1,2,4-thiadiazole hydrochloride

• ChemBase ID: 101990
• Molecular Formular: C6H7ClN4S2
• Molecular Mass: 234.72958
• Monoisotopic Mass: 233.98006592
• SMILES: n1c(nsc1NN)c1sccc1.Cl
• Canonical SMILES: NNc1snc(n1)c1cccs1.Cl
• InChI: InChI=1S/C6H6N4S2.ClH/c7-9-6-8-5(10-12-6)4-2-1-3-11-4;/h1-3H,7H2,(H,8,9,10);1H
• InChIKey: PPNLQWQZMDJNDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-3-(thiophen-2-yl)-1,2,4-thiadiazole hydrochloride
• IUPAC Traditional name: 5-hydrazinyl-3-(thiophen-2-yl)-1,2,4-thiadiazole hydrochloride
• Synonyms: 5-hydrazino-3-(2-thienyl)-1,2,4-thiadiazole hydrochloride

Database IDs

• CAS Number: 306936-74-3
• MDL Number: MFCD05662368
• PubChem SID: 162088273
• PubChem CID: 2800192

CALCULATED PROPERTIES

• Acid pKa: -0.602815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7305506
• LogD (pH = 7.4): 0.7314104
• Log P: 2.2020154
• Molar Refractivity: 62.5607 cm^3
• Polarizability: 18.812613 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: TECH