N-[(hydrazinecarbonyl)methyl]thiophene-2-carboxamide

• ChemBase ID: 267680
• Molecular Formular: C7H9N3O2S
• Molecular Mass: 199.23026
• Monoisotopic Mass: 199.04154754
• SMILES: C(=O)(c1sccc1)NCC(=O)NN
• Canonical SMILES: NNC(=O)CNC(=O)c1cccs1
• InChI: InChI=1S/C7H9N3O2S/c8-10-6(11)4-9-7(12)5-2-1-3-13-5/h1-3H,4,8H2,(H,9,12)(H,10,11)
• InChIKey: HGCJMJNFNMTOJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(hydrazinecarbonyl)methyl]thiophene-2-carboxamide
• IUPAC Traditional name: N-[(hydrazinecarbonyl)methyl]thiophene-2-carboxamide
• Synonyms: N-[(hydrazinecarbonyl)methyl]thiophene-2-carboxamide

Database IDs

• MDL Number: MFCD00749303
• PubChem SID: 164323590
• PubChem CID: 822733

CALCULATED PROPERTIES

• Acid pKa: 11.81029
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.6659412
• LogD (pH = 7.4): -0.6650187
• Log P: -0.66499144
• Molar Refractivity: 49.3139 cm^3
• Polarizability: 18.273642 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.769

Product Information

• Purity: 95%