1-cyclohexyl-1-ethylthiourea

• ChemBase ID: 276409
• Molecular Formular: C9H18N2S
• Molecular Mass: 186.31762
• Monoisotopic Mass: 186.11906959
• SMILES: C(=S)(N(C1CCCCC1)CC)N
• Canonical SMILES: CCN(C(=S)N)C1CCCCC1
• InChI: InChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12)
• InChIKey: VGBZVQGJJBVFAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-1-ethylthiourea
• IUPAC Traditional name: 1-cyclohexyl-1-ethylthiourea
• Synonyms: 1-cyclohexyl-1-ethylthiourea

Database IDs

• MDL Number: MFCD09729690
• PubChem SID: 164332319
• PubChem CID: 16782986

CALCULATED PROPERTIES

• Acid pKa: 14.715912
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 2.1294663
• LogD (pH = 7.4): 2.1294663
• Log P: 2.1294663
• Molar Refractivity: 56.6897 cm^3
• Polarizability: 22.301613 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.132

Product Information

• Purity: 95%