1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene

C16H15F3S — CID 58715685

IUPAC1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCc1cc(C)c(Sc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3S/c1-10-8-11(2)15(12(3)9-10)20-14-7-5-4-6-13(14)16(17,18)19/h4-9H,1-3H3
InChIKeyRCVPBTQBYOOARZ-UHFFFAOYSA-N
MW296.36 g/mol
LogP5.78
Rot. Bonds2

About 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene

1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene (PubChem CID 58715685) has the molecular formula C16H15F3S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
PubChem CID58715685
Molecular FormulaC16H15F3S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene
SMILESCc1cc(C)c(Sc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3S/c1-10-8-11(2)15(12(3)9-10)20-14-7-5-4-6-13(14)16(17,18)19/h4-9H,1-3H3
InChIKeyRCVPBTQBYOOARZ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.36
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-Trimethyl-2-(4-methylphenyl)sulfonylbenzene
CID 272513
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Di-2,4-xylyl sulfone
CID 78859
2,4-Dimethylthioanisole
CID 305841
4-(Trifluoromethylthio)toluene
CID 2777908
2,2,6-Trimethylthiochromene 1-oxide
CID 4143337
3-(2,4-Dimethylphenyl)sulfanyl-1,1,1-trifluoropropan-2-one
CID 76327478
Dibenzo[b,f]thiepin
CID 136074
1-Methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzene
CID 2743786
2-Trifluoromethylthioanisole
CID 2760783
Mesityl phenyl sulfone
CID 345600

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene (CID 58715685) is 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene is Cc1cc(C)c(Sc2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
The InChIKey is RCVPBTQBYOOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3S/c1-10-8-11(2)15(12(3)9-10)20-14-7-5-4-6-13(14)16(17,18)19/h4-9H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene?
1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene has a molecular weight of 296.36 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[2-(trifluoromethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 58715685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).