carbamimidoylthiourea hydrochloride

• ChemBase ID: 121581
• Molecular Formular: C2H7ClN4S
• Molecular Mass: 154.62178
• Monoisotopic Mass: 154.00799492
• SMILES: N(C(=N)N)C(=S)N.Cl
• Canonical SMILES: NC(=N)NC(=S)N.Cl
• InChI: InChI=1S/C2H6N4S.ClH/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);1H
• InChIKey: ANERBZALGAFKNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbamimidoylthiourea hydrochloride
• IUPAC Traditional name: guanylthiourea hydrochloride
• Synonyms: carbamimidoylthiourea hydrochloride

Database IDs

• PubChem SID: 162215934
• PubChem CID: 20479355

CALCULATED PROPERTIES

• Acid pKa: 12.784849
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): -3.1472301
• LogD (pH = 7.4): -2.542353
• Log P: -0.7490733
• Molar Refractivity: 41.9702 cm^3
• Polarizability: 11.999893 Å^3
• Polar Surface Area: 87.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl