thiophene-3-carbohydrazide

• ChemBase ID: 8748
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: c1c(csc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cscc1
• InChI: InChI=1S/C5H6N2OS/c6-7-5(8)4-1-2-9-3-4/h1-3H,6H2,(H,7,8)
• InChIKey: AMOWAJLALKAYKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophene-3-carbohydrazide
• IUPAC Traditional name: thiophene-3-carbohydrazide
• Synonyms: Thiophene-3-carboxylic acid hydrazide

Database IDs

• CAS Number: 39001-23-5
• MDL Number: MFCD01310840
• PubChem SID: 160972055
• PubChem CID: 468648

CALCULATED PROPERTIES

• Acid pKa: 14.372665
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.30709413
• LogD (pH = 7.4): 0.30784276
• Log P: 0.30785236
• Molar Refractivity: 36.7263 cm^3
• Polarizability: 13.313807 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126-128°C

Safety Information

• TSCA Listed: false