3,4-bis(chloromethyl)-2,5-dimethylthiophene

• ChemBase ID: 82205
• Molecular Formular: C8H10Cl2S
• Molecular Mass: 209.136
• Monoisotopic Mass: 207.98802668
• SMILES: s1c(c(c(c1C)CCl)CCl)C
• Canonical SMILES: ClCc1c(C)sc(c1CCl)C
• InChI: InChI=1S/C8H10Cl2S/c1-5-7(3-9)8(4-10)6(2)11-5/h3-4H2,1-2H3
• InChIKey: UOAVLAVHDBWBGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-bis(chloromethyl)-2,5-dimethylthiophene
• IUPAC Traditional name: 3,4-bis(chloromethyl)-2,5-dimethylthiophene
• Synonyms: 3,4-Bis(chloromethyl)-2,5-dimethylthiophene

Database IDs

• CAS Number: 5368-70-7
• MDL Number: MFCD01566412
• PubChem SID: 162069324
• PubChem CID: 288399

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2198935
• LogD (pH = 7.4): 4.2198935
• Log P: 4.2198935
• Molar Refractivity: 53.0102 cm^3
• Polarizability: 19.876001 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive