5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene

C17H12BrFOS2 — CID 143063823

IUPAC5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene
SMILESCS(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12BrFOS2/c1-22(20)14-8-4-11(5-9-14)15-10-16(18)21-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKeyHVDSUSGBVVGDAG-UHFFFAOYSA-N
MW395.32 g/mol
LogP5.72
Rot. Bonds3

About 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene

5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene (PubChem CID 143063823) has the molecular formula C17H12BrFOS2 and a molecular weight of 395.32 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene
PubChem CID143063823
Molecular FormulaC17H12BrFOS2
Molecular Weight395.32 g/mol
Exact Mass393.95
IUPAC Name5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene
SMILESCS(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12BrFOS2/c1-22(20)14-8-4-11(5-9-14)15-10-16(18)21-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
InChIKeyHVDSUSGBVVGDAG-UHFFFAOYSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.32
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene (CID 143063823) is 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene is CS(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene?
The InChIKey is HVDSUSGBVVGDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFOS2/c1-22(20)14-8-4-11(5-9-14)15-10-16(18)21-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene?
5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene has a molecular weight of 395.32 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfinylphenyl)thiophene is sourced from PubChem (CID 143063823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).