trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium

C19H22F3S+ — CID 135397171

IUPACtrifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium
SMILESCc1cc(C)c([S+](c2c(C)cc(C)cc2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H22F3S/c1-11-7-13(3)17(14(4)8-11)23(19(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKeyWJJTWCDSTNQGES-UHFFFAOYSA-N
MW339.45 g/mol
LogP6.09
Rot. Bonds2

About trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium

trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium (PubChem CID 135397171) has the molecular formula C19H22F3S+ and a molecular weight of 339.45 g/mol. Its IUPAC name is trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium.

Molecular Properties

Compound Nametrifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium
PubChem CID135397171
Molecular FormulaC19H22F3S+
Molecular Weight339.45 g/mol
Exact Mass339.14
IUPAC Nametrifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium
SMILESCc1cc(C)c([S+](c2c(C)cc(C)cc2C)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H22F3S/c1-11-7-13(3)17(14(4)8-11)23(19(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKeyWJJTWCDSTNQGES-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mesityl sulfone
CID 345612
1,3,5-Trimethyl-2-tosylbenzene
CID 272513
Di-2,4-xylyl sulfone
CID 78859
Dimesityl disulfide
CID 345613
Dimesityl(trifluoromethyl)sulfonium Trifluoromethanesulfonate
CID 135397170
9-Fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine
CID 69188417
Diphenyl(2,4,6-trimethylphenyl)sulfanium
CID 17834769
4-Difluoromethylsulfanyl-4'-propyl-biphenyl
CID 19436207
p-(Trifluoromethyl)phenyl p-tolyl sulfide
CID 10707001
(4-Fluorophenyl)(p-tolyl)sulfane
CID 10846482
2-(Trifluoromethylthio)biphenyl
CID 10923065
1-[(Phenylmethyl)thio]-4-(trifluoromethyl)benzene
CID 11414500

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium?
The IUPAC name of trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium (CID 135397171) is trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium.
What is the SMILES notation for trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium?
The canonical SMILES for trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium is Cc1cc(C)c([S+](c2c(C)cc(C)cc2C)C(F)(F)F)c(C)c1.
What is the InChIKey of trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium?
The InChIKey is WJJTWCDSTNQGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3S/c1-11-7-13(3)17(14(4)8-11)23(19(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1.
What are the key properties of trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium?
trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium has a molecular weight of 339.45 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl-bis(2,4,6-trimethylphenyl)sulfanium is sourced from PubChem (CID 135397171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).