(2-hydroxyethyl)thiourea

• ChemBase ID: 278426
• Molecular Formular: C3H8N2OS
• Molecular Mass: 120.17342
• Monoisotopic Mass: 120.03573389
• SMILES: C(=S)(NCCO)N
• Canonical SMILES: NC(=S)NCCO
• InChI: InChI=1S/C3H8N2OS/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
• InChIKey: IPSVDERFJPMANL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxyethyl)thiourea
• IUPAC Traditional name: 2-hydroxyethylthiourea
• Synonyms: (2-hydroxyethyl)thiourea

Database IDs

• MDL Number: MFCD19203621
• PubChem SID: 164334336
• PubChem CID: 3254090

CALCULATED PROPERTIES

• Acid pKa: -4.1167126
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): -0.9403903
• LogD (pH = 7.4): -0.94039035
• Log P: -0.9403902
• Molar Refractivity: 32.3225 cm^3
• Polarizability: 12.589947 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.317

Product Information

• Purity: 95%