3-iodo-2,5-dimethylthiophene

• ChemBase ID: 235587
• Molecular Formular: C6H7IS
• Molecular Mass: 238.08925
• Monoisotopic Mass: 237.93131922
• SMILES: s1c(c(cc1C)I)C
• Canonical SMILES: Cc1sc(c(c1)I)C
• InChI: InChI=1S/C6H7IS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
• InChIKey: SHOXGOWAOZUVEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-2,5-dimethylthiophene
• IUPAC Traditional name: 3-iodo-2,5-dimethylthiophene
• Synonyms: 3-iodo-2,5-dimethylthiophene

Database IDs

• MDL Number: MFCD22369798
• PubChem SID: 164291497
• PubChem CID: 298613

CALCULATED PROPERTIES

• Log P: 3.9743538
• Molar Refractivity: 46.6389 cm^3
• Polarizability: 17.752726 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9743538
• LogD (pH = 7.4): 3.9743538

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.651

Product Information

• Purity: 95%