(3-ethoxypropyl)thiourea

• ChemBase ID: 250522
• Molecular Formular: C6H14N2OS
• Molecular Mass: 162.25316
• Monoisotopic Mass: 162.08268408
• SMILES: C(=S)(NCCCOCC)N
• Canonical SMILES: CCOCCCNC(=S)N
• InChI: InChI=1S/C6H14N2OS/c1-2-9-5-3-4-8-6(7)10/h2-5H2,1H3,(H3,7,8,10)
• InChIKey: BPIJXOIMSUEVHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxypropyl)thiourea
• IUPAC Traditional name: 3-ethoxypropylthiourea
• Synonyms: N-(3-ethoxypropyl)thiourea

Database IDs

• MDL Number: MFCD07352276
• PubChem SID: 164306432
• PubChem CID: 7131186

CALCULATED PROPERTIES

• Acid pKa: -4.419494
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.1195039
• LogD (pH = 7.4): 0.11950385
• Log P: 0.119503975
• Molar Refractivity: 46.6877 cm^3
• Polarizability: 18.179823 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 0.16

Product Information

• Purity: 95%