2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane

C11H15F3S — CID 143231440

IUPAC2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
SMILESCC.Cc1ccc(SC(F)(F)F)c(C)c1
InChIInChI=1S/C9H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)13-9(10,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyYPFDPQKBYSGETH-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.94
Rot. Bonds1

About 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane

2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane (PubChem CID 143231440) has the molecular formula C11H15F3S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
PubChem CID143231440
Molecular FormulaC11H15F3S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane
SMILESCC.Cc1ccc(SC(F)(F)F)c(C)c1
InChIInChI=1S/C9H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)13-9(10,11)12;1-2/h3-5H,1-2H3;1-2H3
InChIKeyYPFDPQKBYSGETH-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232
1,2-difluoro-4-methyl-5-(trifluoromethylsulfanyl)benzene
CID 118805699
[4-methyl-2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 170900093
1-hydroxysulfanyl-2,4-dimethylbenzene
CID 117033827
1-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)benzene
CID 118824763
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
4-tert-butyl-1-methyl-2-(trifluoromethylsulfanyl)benzene
CID 151565687
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
N-[2-(2,4-dimethylphenyl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62583912
1-[2-bromo-4-(trifluoromethyl)phenyl]sulfanyl-2,4-dimethylbenzene
CID 68681740
3-(2,4-dimethylphenyl)sulfanyl-4,4,4-trifluorobutan-1-amine
CID 43753414

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane?
The IUPAC name of 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane (CID 143231440) is 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane.
What is the SMILES notation for 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane?
The canonical SMILES for 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane is CC.Cc1ccc(SC(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane?
The InChIKey is YPFDPQKBYSGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)13-9(10,11)12;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane?
2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane has a molecular weight of 236.30 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(trifluoromethylsulfanyl)benzene;ethane is sourced from PubChem (CID 143231440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).