4-[(5-bromothiophen-2-yl)sulfonyl]morpholine

• ChemBase ID: 254556
• Molecular Formular: C8H10BrNO3S2
• Molecular Mass: 312.2039
• Monoisotopic Mass: 310.92854719
• SMILES: S(=O)(=O)(c1sc(cc1)Br)N1CCOCC1
• Canonical SMILES: Brc1ccc(s1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C8H10BrNO3S2/c9-7-1-2-8(14-7)15(11,12)10-3-5-13-6-4-10/h1-2H,3-6H2
• InChIKey: FRGPFXYBUBHMKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-bromothiophen-2-yl)sulfonyl]morpholine
• IUPAC Traditional name: 4-(5-bromothiophen-2-ylsulfonyl)morpholine
• Synonyms: 4-[(5-bromothien-2-yl)sulfonyl]morpholine

Database IDs

• MDL Number: MFCD03230887
• PubChem SID: 164310466
• PubChem CID: 1541687

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6893148
• LogD (pH = 7.4): 1.6893148
• Log P: 1.6893148
• Molar Refractivity: 60.1322 cm^3
• Polarizability: 24.783482 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.882

Product Information

• Purity: 95%