2-bromo-5-(cyclopentanesulfonyl)thiophene

• ChemBase ID: 52762
• Molecular Formular: C9H11BrO2S2
• Molecular Mass: 295.21644
• Monoisotopic Mass: 293.93838359
• SMILES: c1(ccc(s1)Br)S(=O)(=O)C1CCCC1
• Canonical SMILES: Brc1ccc(s1)S(=O)(=O)C1CCCC1
• InChI: InChI=1S/C9H11BrO2S2/c10-8-5-6-9(13-8)14(11,12)7-3-1-2-4-7/h5-7H,1-4H2
• InChIKey: DUAFHLOYDGCJGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(cyclopentanesulfonyl)thiophene
• IUPAC Traditional name: 2-bromo-5-(cyclopentanesulfonyl)thiophene
• Synonyms: 2-Bromo-5-(cyclopentylsulfonyl)thiophene

Database IDs

• CAS Number: 438234-34-5
• MDL Number: MFCD03467658
• PubChem SID: 162057525
• PubChem CID: 4646916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3538213
• LogD (pH = 7.4): 3.3538213
• Log P: 3.3538213
• Molar Refractivity: 59.3572 cm^3
• Polarizability: 24.629677 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%