2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene

C17H13FS2 — CID 10590357

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene
SMILESCSc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FS2/c1-19-15-8-4-12(5-9-15)16-10-11-20-17(16)13-2-6-14(18)7-3-13/h2-11H,1H3
InChIKeyJDMCOHHLESGGIM-UHFFFAOYSA-N
MW300.42 g/mol
LogP5.94
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene

2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene (PubChem CID 10590357) has the molecular formula C17H13FS2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene
PubChem CID10590357
Molecular FormulaC17H13FS2
Molecular Weight300.42 g/mol
Exact Mass300.04
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene
SMILESCSc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FS2/c1-19-15-8-4-12(5-9-15)16-10-11-20-17(16)13-2-6-14(18)7-3-13/h2-11H,1H3
InChIKeyJDMCOHHLESGGIM-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene (CID 10590357) is 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene is CSc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene?
The InChIKey is JDMCOHHLESGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FS2/c1-19-15-8-4-12(5-9-15)16-10-11-20-17(16)13-2-6-14(18)7-3-13/h2-11H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene?
2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene has a molecular weight of 300.42 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)thiophene is sourced from PubChem (CID 10590357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).