trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane

C13H17F3SSi — CID 102074971

IUPACtrimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane
SMILESCc1ccc(S/C(=C/C(F)(F)F)[Si](C)(C)C)cc1
InChIInChI=1S/C13H17F3SSi/c1-10-5-7-11(8-6-10)17-12(18(2,3)4)9-13(14,15)16/h5-9H,1-4H3/b12-9-
InChIKeyGPWOZVUOQRITDV-XFXZXTDPSA-N
MW290.43 g/mol
LogP5.41
Rot. Bonds3

About trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane

trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane (PubChem CID 102074971) has the molecular formula C13H17F3SSi and a molecular weight of 290.43 g/mol. Its IUPAC name is trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane
PubChem CID102074971
Molecular FormulaC13H17F3SSi
Molecular Weight290.43 g/mol
Exact Mass290.08
IUPAC Nametrimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane
SMILESCc1ccc(S/C(=C/C(F)(F)F)[Si](C)(C)C)cc1
InChIInChI=1S/C13H17F3SSi/c1-10-5-7-11(8-6-10)17-12(18(2,3)4)9-13(14,15)16/h5-9H,1-4H3/b12-9-
InChIKeyGPWOZVUOQRITDV-XFXZXTDPSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1-methyl-4-(methylthio)-
CID 69334
4-(Trifluoromethylthio)toluene
CID 2777908
p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
4-Methylphenyl trifluoromethyl sulphoxide
CID 841896
1-(Methanesulfinyl)-4-(trifluoromethyl)benzene
CID 69016885
1-(tert-Butylsulfanyl)-4-methylbenzene
CID 139026
4-(Trifluoromethyl)phenyl thiocyanate
CID 519269
p-(Trifluoromethyl)phenyl p-tolyl sulfide
CID 10707001
(Difluoro(phenylthio)methyl)trimethylsilane
CID 11075297
1,1'-Sulfanediylbis(4-(trifluoromethyl)benzene)
CID 12776871
1-(p-Tolylthio)-1,1,2,2-tetrafluoro-2-bromoethane
CID 12780692
1-Tert-butyl-4-(trifluoromethyl)thiobenzene
CID 12834436

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane (CID 102074971) is trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane is Cc1ccc(S/C(=C/C(F)(F)F)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane?
The InChIKey is GPWOZVUOQRITDV-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H17F3SSi/c1-10-5-7-11(8-6-10)17-12(18(2,3)4)9-13(14,15)16/h5-9H,1-4H3/b12-9-.
What are the key properties of trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane?
trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane has a molecular weight of 290.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3,3,3-trifluoro-1-(4-methylphenyl)sulfanylprop-1-enyl]silane is sourced from PubChem (CID 102074971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).