1-carbamothioyl-N-cyclopropylformamide

• ChemBase ID: 278720
• Molecular Formular: C5H8N2OS
• Molecular Mass: 144.19482
• Monoisotopic Mass: 144.03573389
• SMILES: C(=O)(C(=S)N)NC1CC1
• Canonical SMILES: O=C(C(=S)N)NC1CC1
• InChI: InChI=1S/C5H8N2OS/c6-4(9)5(8)7-3-1-2-3/h3H,1-2H2,(H2,6,9)(H,7,8)
• InChIKey: TZDRDDHFEAKGMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-carbamothioyl-N-cyclopropylformamide
• IUPAC Traditional name: 1-carbamothioyl-N-cyclopropylformamide
• Synonyms: 2-amino-N-cyclopropyl-2-thioxoacetamide

Database IDs

• MDL Number: MFCD19982617
• PubChem SID: 164334630
• PubChem CID: 54594972

CALCULATED PROPERTIES

• Acid pKa: 9.995972
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.2989728
• LogD (pH = 7.4): -0.2980038
• Log P: -0.29852661
• Molar Refractivity: 38.1818 cm^3
• Polarizability: 15.008892 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.469

Product Information

• Purity: 95%