1-amino-3-(3-ethoxypropyl)thiourea

• ChemBase ID: 250517
• Molecular Formular: C6H15N3OS
• Molecular Mass: 177.2678
• Monoisotopic Mass: 177.09358312
• SMILES: C(=S)(NN)NCCCOCC
• Canonical SMILES: CCOCCCNC(=S)NN
• InChI: InChI=1S/C6H15N3OS/c1-2-10-5-3-4-8-6(11)9-7/h2-5,7H2,1H3,(H2,8,9,11)
• InChIKey: WKXHBRYLGSJMJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-3-(3-ethoxypropyl)thiourea
• IUPAC Traditional name: 1-amino-3-(3-ethoxypropyl)thiourea
• Synonyms: N-(3-ethoxypropyl)hydrazinecarbothioamide

Database IDs

• MDL Number: MFCD07352281
• PubChem SID: 164306427
• PubChem CID: 7131179

CALCULATED PROPERTIES

• Acid pKa: 14.00549
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -0.18658085
• LogD (pH = 7.4): -0.17709412
• Log P: -0.17697172
• Molar Refractivity: 51.1718 cm^3
• Polarizability: 19.610743 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.226

Product Information

• Purity: 95%