phenylsulfanylbenzene;trifluoromethylbenzene

C19H15F3S — CID 171924180

IUPACphenylsulfanylbenzene;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C7H5F3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9,10)6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyMPLUVYKODQGHEU-UHFFFAOYSA-N
MW332.39 g/mol
LogP6.54
Rot. Bonds2

About phenylsulfanylbenzene;trifluoromethylbenzene

phenylsulfanylbenzene;trifluoromethylbenzene (PubChem CID 171924180) has the molecular formula C19H15F3S and a molecular weight of 332.39 g/mol. Its IUPAC name is phenylsulfanylbenzene;trifluoromethylbenzene.

Molecular Properties

Compound Namephenylsulfanylbenzene;trifluoromethylbenzene
PubChem CID171924180
Molecular FormulaC19H15F3S
Molecular Weight332.39 g/mol
Exact Mass332.08
IUPAC Namephenylsulfanylbenzene;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.C7H5F3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9,10)6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyMPLUVYKODQGHEU-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenylsulfanylbenzene;trifluoromethylbenzene?
The IUPAC name of phenylsulfanylbenzene;trifluoromethylbenzene (CID 171924180) is phenylsulfanylbenzene;trifluoromethylbenzene.
What is the SMILES notation for phenylsulfanylbenzene;trifluoromethylbenzene?
The canonical SMILES for phenylsulfanylbenzene;trifluoromethylbenzene is FC(F)(F)c1ccccc1.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of phenylsulfanylbenzene;trifluoromethylbenzene?
The InChIKey is MPLUVYKODQGHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C7H5F3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9,10)6-4-2-1-3-5-6/h1-10H;1-5H.
What are the key properties of phenylsulfanylbenzene;trifluoromethylbenzene?
phenylsulfanylbenzene;trifluoromethylbenzene has a molecular weight of 332.39 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylbenzene;trifluoromethylbenzene is sourced from PubChem (CID 171924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).