1-(bromomethyl)-1-[(methylsulfanyl)methyl]cyclobutane

• ChemBase ID: 242738
• Molecular Formular: C7H13BrS
• Molecular Mass: 209.14712
• Monoisotopic Mass: 207.99213342
• SMILES: C1(CSC)(CBr)CCC1
• Canonical SMILES: BrCC1(CCC1)CSC
• InChI: InChI=1S/C7H13BrS/c1-9-6-7(5-8)3-2-4-7/h2-6H2,1H3
• InChIKey: RLZCRIQBVZBXNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-1-[(methylsulfanyl)methyl]cyclobutane
• IUPAC Traditional name: 1-(bromomethyl)-1-[(methylsulfanyl)methyl]cyclobutane
• Synonyms: 1-(bromomethyl)-1-[(methylsulfanyl)methyl]cyclobutane

Database IDs

• MDL Number: MFCD21134255
• PubChem SID: 164298648
• PubChem CID: 65007488

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9822643
• LogD (pH = 7.4): 2.9822643
• Log P: 2.9822643
• Molar Refractivity: 47.6912 cm^3
• Polarizability: 18.630964 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.896

Product Information

• Purity: 95%