1-methyl-4-(trifluoromethylsulfanyl)benzene

C8H7F3S — CID 2777908

IUPAC1-methyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
InChIKeyIAOHBKBYKBEMSM-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.61
Rot. Bonds1

About 1-methyl-4-(trifluoromethylsulfanyl)benzene

1-methyl-4-(trifluoromethylsulfanyl)benzene (PubChem CID 2777908) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethylsulfanyl)benzene
PubChem CID2777908
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Name1-methyl-4-(trifluoromethylsulfanyl)benzene
SMILESCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3
InChIKeyIAOHBKBYKBEMSM-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)benzene (CID 2777908) is 1-methyl-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-methyl-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-methyl-4-(trifluoromethylsulfanyl)benzene is Cc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is IAOHBKBYKBEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethylsulfanyl)benzene?
1-methyl-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 192.21 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 2777908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).