(methylamino)thiourea

• ChemBase ID: 278743
• Molecular Formular: C2H7N3S
• Molecular Mass: 105.16208
• Monoisotopic Mass: 105.03606824
• SMILES: C(=S)(NNC)N
• Canonical SMILES: CNNC(=S)N
• InChI: InChI=1S/C2H7N3S/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)
• InChIKey: JQPZTRBYIRCNAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylamino)thiourea
• IUPAC Traditional name: methylaminothiourea
• Synonyms: (methylamino)thiourea

Database IDs

• MDL Number: MFCD19236955
• PubChem SID: 164334653
• PubChem CID: 3037098

CALCULATED PROPERTIES

• Acid pKa: 14.417505
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): -0.58878
• LogD (pH = 7.4): -0.54731894
• Log P: -0.5467639
• Molar Refractivity: 39.9451 cm^3
• Polarizability: 11.550454 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.808

Product Information

• Purity: 95%