(ethylamino)thiourea

• ChemBase ID: 278742
• Molecular Formular: C3H9N3S
• Molecular Mass: 119.18866
• Monoisotopic Mass: 119.0517183
• SMILES: C(=S)(NNCC)N
• Canonical SMILES: CCNNC(=S)N
• InChI: InChI=1S/C3H9N3S/c1-2-5-6-3(4)7/h5H,2H2,1H3,(H3,4,6,7)
• InChIKey: IDAYARXLWPWWNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylamino)thiourea
• IUPAC Traditional name: ethylaminothiourea
• Synonyms: (ethylamino)thiourea

Database IDs

• MDL Number: MFCD19204293
• PubChem SID: 164334652
• PubChem CID: 22105028

CALCULATED PROPERTIES

• Acid pKa: 14.403522
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): -0.24345925
• LogD (pH = 7.4): -0.1906722
• Log P: -0.18995595
• Molar Refractivity: 44.6937 cm^3
• Polarizability: 13.392647 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.279

Product Information

• Purity: 95%