1-benzylsulfanyl-2-(trifluoromethyl)benzene

C14H11F3S — CID 11615962

IUPAC1-benzylsulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1SCc1ccccc1
InChIInChI=1S/C14H11F3S/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyNJDWJGHGDJMKLA-UHFFFAOYSA-N
MW268.30 g/mol
LogP5.00
Rot. Bonds3

About 1-benzylsulfanyl-2-(trifluoromethyl)benzene

1-benzylsulfanyl-2-(trifluoromethyl)benzene (PubChem CID 11615962) has the molecular formula C14H11F3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-benzylsulfanyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-benzylsulfanyl-2-(trifluoromethyl)benzene
PubChem CID11615962
Molecular FormulaC14H11F3S
Molecular Weight268.30 g/mol
Exact Mass268.05
IUPAC Name1-benzylsulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1SCc1ccccc1
InChIInChI=1S/C14H11F3S/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyNJDWJGHGDJMKLA-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzylsulfanyl-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-benzylsulfanyl-2-(trifluoromethyl)benzene (CID 11615962) is 1-benzylsulfanyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-benzylsulfanyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-benzylsulfanyl-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1SCc1ccccc1.
What is the InChIKey of 1-benzylsulfanyl-2-(trifluoromethyl)benzene?
The InChIKey is NJDWJGHGDJMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3S/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-benzylsulfanyl-2-(trifluoromethyl)benzene?
1-benzylsulfanyl-2-(trifluoromethyl)benzene has a molecular weight of 268.30 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 11615962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).