(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium

C23H23F2S+ — CID 163793369

IUPAC(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium
SMILESCc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2c(F)cc(C)cc2F)c1
InChIInChI=1S/C23H23F2S/c1-14-6-15(2)9-19(8-14)26(20-10-16(3)7-17(4)11-20)23-21(24)12-18(5)13-22(23)25/h6-13H,1-5H3/q+1
InChIKeyRMLCNBWRLKYRAJ-UHFFFAOYSA-N
MW369.50 g/mol
LogP6.60
Rot. Bonds3

About (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium

(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium (PubChem CID 163793369) has the molecular formula C23H23F2S+ and a molecular weight of 369.50 g/mol. Its IUPAC name is (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium.

Molecular Properties

Compound Name(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium
PubChem CID163793369
Molecular FormulaC23H23F2S+
Molecular Weight369.50 g/mol
Exact Mass369.15
IUPAC Name(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium
SMILESCc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2c(F)cc(C)cc2F)c1
InChIInChI=1S/C23H23F2S/c1-14-6-15(2)9-19(8-14)26(20-10-16(3)7-17(4)11-20)23-21(24)12-18(5)13-22(23)25/h6-13H,1-5H3/q+1
InChIKeyRMLCNBWRLKYRAJ-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl(2,4,6-trimethylphenyl)sulfanium
CID 17834769
(4-Fluorophenyl)(p-tolyl)sulfane
CID 10846482
Mesityl sulfide
CID 220250
Tris(4-methylphenyl)sulfanium Chloride
CID 5351245
Tri-p-tolylsulfonium Hexafluorophosphate
CID 13750251
1-Fluoro-4-[2-(4-fluorophenyl)sulfanyl-1-phenylethyl]sulfanylbenzene
CID 101808192
1-(2,6-Dimethylphenyl)sulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249061
1-(4-Fluorophenyl)-3-(3-fluorophenyl)sulfanyl-5-methylbenzene
CID 139249062
1-Benzylsulfanyl-3-(4-fluorophenyl)-5-methylbenzene
CID 139249065
4-Methylphenyl 3,5-bis(trifluoromethyl)phenyl sulfide
CID 51050474
1-(2-Fluorophenyl)sulfanyl-2,4-dimethylbenzene
CID 86343633
CID 135397171
CID 135397171

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium?
The IUPAC name of (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium (CID 163793369) is (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium.
What is the SMILES notation for (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium?
The canonical SMILES for (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium is Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2c(F)cc(C)cc2F)c1.
What is the InChIKey of (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium?
The InChIKey is RMLCNBWRLKYRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2S/c1-14-6-15(2)9-19(8-14)26(20-10-16(3)7-17(4)11-20)23-21(24)12-18(5)13-22(23)25/h6-13H,1-5H3/q+1.
What are the key properties of (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium?
(2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium has a molecular weight of 369.50 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methylphenyl)-bis(3,5-dimethylphenyl)sulfanium is sourced from PubChem (CID 163793369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).