1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene

C12H15F3S — CID 13446350

IUPAC1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene
SMILESCc1c(C)c(C)c(SC(F)(F)F)c(C)c1C
InChIInChI=1S/C12H15F3S/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3
InChIKeyPFEWPXJJNROAGV-UHFFFAOYSA-N
MW248.31 g/mol
LogP4.84
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene

1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene (PubChem CID 13446350) has the molecular formula C12H15F3S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene
PubChem CID13446350
Molecular FormulaC12H15F3S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene
SMILESCc1c(C)c(C)c(SC(F)(F)F)c(C)c1C
InChIInChI=1S/C12H15F3S/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3
InChIKeyPFEWPXJJNROAGV-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene (CID 13446350) is 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene is Cc1c(C)c(C)c(SC(F)(F)F)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene?
The InChIKey is PFEWPXJJNROAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3S/c1-6-7(2)9(4)11(10(5)8(6)3)16-12(13,14)15/h1-5H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene?
1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene has a molecular weight of 248.31 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 13446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).