1-methylsulfanyl-4-(trifluoromethyl)benzene

C8H7F3S — CID 10987087

IUPAC1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCSc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyVYGXLDXWNLTGIL-UHFFFAOYSA-N
MW192.20 g/mol
LogP3.43
Rot. Bonds1

About 1-methylsulfanyl-4-(trifluoromethyl)benzene

1-methylsulfanyl-4-(trifluoromethyl)benzene (PubChem CID 10987087) has the molecular formula C8H7F3S and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-(trifluoromethyl)benzene
PubChem CID10987087
Molecular FormulaC8H7F3S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Name1-methylsulfanyl-4-(trifluoromethyl)benzene
SMILESCSc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyVYGXLDXWNLTGIL-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methylsulfanyl-4-(trifluoromethyl)benzene (CID 10987087) is 1-methylsulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methylsulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methylsulfanyl-4-(trifluoromethyl)benzene is CSc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methylsulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is VYGXLDXWNLTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methylsulfanyl-4-(trifluoromethyl)benzene?
1-methylsulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 192.20 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 10987087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).