(morpholin-4-yl)thiourea

• ChemBase ID: 91264
• Molecular Formular: C5H11N3OS
• Molecular Mass: 161.22534
• Monoisotopic Mass: 161.06228299
• SMILES: N1(CCOCC1)NC(=S)N
• Canonical SMILES: NC(=S)NN1CCOCC1
• InChI: InChI=1S/C5H11N3OS/c6-5(10)7-8-1-3-9-4-2-8/h1-4H2,(H3,6,7,10)
• InChIKey: OIZBKMFCDGFAFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (morpholin-4-yl)thiourea
• IUPAC Traditional name: morpholin-4-ylthiourea
• Synonyms: 1-Morpholin-4-ylthiourea

Database IDs

• MDL Number: MFCD08445673
• PubChem SID: 162077968
• PubChem CID: 13765966

CALCULATED PROPERTIES

• Acid pKa: 14.274957
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.823197
• LogD (pH = 7.4): -0.8231706
• Log P: -0.82317024
• Molar Refractivity: 43.3014 cm^3
• Polarizability: 17.046946 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true