2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene

C12H9F3S2 — CID 122547721

IUPAC2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
SMILESCc1ccc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C12H9F3S2/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)17-12(13,14)15/h2-7H,1H3
InChIKeyKFNGILQXQISNJV-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.34
Rot. Bonds2

About 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene

2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene (PubChem CID 122547721) has the molecular formula C12H9F3S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
PubChem CID122547721
Molecular FormulaC12H9F3S2
Molecular Weight274.33 g/mol
Exact Mass274.01
IUPAC Name2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
SMILESCc1ccc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C12H9F3S2/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)17-12(13,14)15/h2-7H,1H3
InChIKeyKFNGILQXQISNJV-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene?
The IUPAC name of 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene (CID 122547721) is 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene is Cc1ccc(-c2ccc(SC(F)(F)F)cc2)s1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene?
The InChIKey is KFNGILQXQISNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3S2/c1-8-2-7-11(16-8)9-3-5-10(6-4-9)17-12(13,14)15/h2-7H,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene?
2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene has a molecular weight of 274.33 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene is sourced from PubChem (CID 122547721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).