4-(chloromethyl)-2-cyclohexyl-1,3-thiazole

• ChemBase ID: 258148
• Molecular Formular: C10H14ClNS
• Molecular Mass: 215.74286
• Monoisotopic Mass: 215.05354813
• SMILES: n1c(scc1CCl)C1CCCCC1
• Canonical SMILES: ClCc1csc(n1)C1CCCCC1
• InChI: InChI=1S/C10H14ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
• InChIKey: VXYXEBAKSNNLPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole
• IUPAC Traditional name: 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole
• Synonyms: 4-(chloromethyl)-2-cyclohexyl-1,3-thiazole

Database IDs

• MDL Number: MFCD11178110
• PubChem SID: 164314058
• PubChem CID: 39870396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.536784
• LogD (pH = 7.4): 3.5373127
• Log P: 3.5373194
• Molar Refractivity: 56.254 cm^3
• Polarizability: 22.019175 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.668

Product Information

• Purity: 95%