(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane

C10H15F3S — CID 143617729

IUPAC(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
SMILESCC.Cc1ccc(S(F)(F)F)c(C)c1
InChIInChI=1S/C8H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)12(9,10)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLTXSRXIQZCOJQP-UHFFFAOYSA-N
MW224.29 g/mol
LogP5.15
Rot. Bonds1

About (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane

(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane (PubChem CID 143617729) has the molecular formula C10H15F3S and a molecular weight of 224.29 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
PubChem CID143617729
Molecular FormulaC10H15F3S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
SMILESCC.Cc1ccc(S(F)(F)F)c(C)c1
InChIInChI=1S/C8H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)12(9,10)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeyLTXSRXIQZCOJQP-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

difluorosilver;diiodovanadium;1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene;(2,4-dimethylphenyl)-trifluoro-λ4-sulfane
CID 162039839
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
bis[(2,4-dimethylphenyl)sulfonyloxy]phosphanyl 2,4-dimethylbenzenesulfonate
CID 158936885
1,2,4-trimethylbenzene
CID 7247
2-(2,4-dimethylphenyl)sulfonylethanethiol
CID 117036897
2-(2,4-dimethylphenyl)sulfonylguanidine
CID 46256438
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane?
The IUPAC name of (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane (CID 143617729) is (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane.
What is the SMILES notation for (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane?
The canonical SMILES for (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane is CC.Cc1ccc(S(F)(F)F)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane?
The InChIKey is LTXSRXIQZCOJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3S.C2H6/c1-6-3-4-8(7(2)5-6)12(9,10)11;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane?
(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane has a molecular weight of 224.29 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane is sourced from PubChem (CID 143617729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).