(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium

C24H27S+ — CID 58205684

IUPAC(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium
SMILESCCCCc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H27S/c1-4-5-16-24-19(2)17-23(18-20(24)3)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17-18H,4-5,16H2,1-3H3/q+1
InChIKeySDXBQDGGCMUGNO-UHFFFAOYSA-N
MW347.55 g/mol
LogP6.74
Rot. Bonds6

About (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium

(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium (PubChem CID 58205684) has the molecular formula C24H27S+ and a molecular weight of 347.55 g/mol. Its IUPAC name is (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium
PubChem CID58205684
Molecular FormulaC24H27S+
Molecular Weight347.55 g/mol
Exact Mass347.18
IUPAC Name(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium
SMILESCCCCc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H27S/c1-4-5-16-24-19(2)17-23(18-20(24)3)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17-18H,4-5,16H2,1-3H3/q+1
InChIKeySDXBQDGGCMUGNO-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium 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

2-butyl-1,3,5-trimethylbenzene
CID 527298
(4-hexanoyloxy-3,5-dimethylphenyl)-diphenylsulfanium
CID 158522075
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
CID 172691925
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium bromide
CID 165110171
bis(4-hexylphenyl)-phenylsulfanium
CID 157117757
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
(4-decyl-2-methylphenyl)-diphenylsulfanium
CID 22057431
(4-tert-butyl-3,5-dimethylphenyl)-diphenylsulfanium
CID 58445560
9,10-dibutylanthracene
CID 605822
bis(3,5-dimethylphenyl)-phenylsulfanium
CID 22057408
bis(2,6-dimethylphenyl)-phenylsulfanium
CID 22057384
[3,5-dimethyl-4-(trifluoromethyl)phenyl]-diphenylsulfanium
CID 58205732

Frequently Asked Questions

What is the IUPAC name of (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium?
The IUPAC name of (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium (CID 58205684) is (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium.
What is the SMILES notation for (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium?
The canonical SMILES for (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium is CCCCc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium?
The InChIKey is SDXBQDGGCMUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27S/c1-4-5-16-24-19(2)17-23(18-20(24)3)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17-18H,4-5,16H2,1-3H3/q+1.
What are the key properties of (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium?
(4-butyl-3,5-dimethylphenyl)-diphenylsulfanium has a molecular weight of 347.55 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-3,5-dimethylphenyl)-diphenylsulfanium is sourced from PubChem (CID 58205684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).