methyl-bis[4-(4-methylphenyl)phenyl]sulfanium

C27H25S+ — CID 88553212

IUPACmethyl-bis[4-(4-methylphenyl)phenyl]sulfanium
SMILESCc1ccc(-c2ccc([S+](C)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H25S/c1-20-4-8-22(9-5-20)24-12-16-26(17-13-24)28(3)27-18-14-25(15-19-27)23-10-6-21(2)7-11-23/h4-19H,1-3H3/q+1
InChIKeyAITRZOZBXFDTGJ-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.30
Rot. Bonds4

About methyl-bis[4-(4-methylphenyl)phenyl]sulfanium

methyl-bis[4-(4-methylphenyl)phenyl]sulfanium (PubChem CID 88553212) has the molecular formula C27H25S+ and a molecular weight of 381.56 g/mol. Its IUPAC name is methyl-bis[4-(4-methylphenyl)phenyl]sulfanium.

Molecular Properties

Compound Namemethyl-bis[4-(4-methylphenyl)phenyl]sulfanium
PubChem CID88553212
Molecular FormulaC27H25S+
Molecular Weight381.56 g/mol
Exact Mass381.17
IUPAC Namemethyl-bis[4-(4-methylphenyl)phenyl]sulfanium
SMILESCc1ccc(-c2ccc([S+](C)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C27H25S/c1-20-4-8-22(9-5-20)24-12-16-26(17-13-24)28(3)27-18-14-25(15-19-27)23-10-6-21(2)7-11-23/h4-19H,1-3H3/q+1
InChIKeyAITRZOZBXFDTGJ-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-bis[4-(4-methylphenyl)phenyl]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

amino-methyl-(4-methylphenyl)sulfanium
CID 176964394
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
dimethyl-[3-[4-(4-methylphenyl)phenyl]phenyl]sulfanium
CID 71663080
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
methane;pentakis(1,4-xylene)
CID 160760083
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661

Frequently Asked Questions

What is the IUPAC name of methyl-bis[4-(4-methylphenyl)phenyl]sulfanium?
The IUPAC name of methyl-bis[4-(4-methylphenyl)phenyl]sulfanium (CID 88553212) is methyl-bis[4-(4-methylphenyl)phenyl]sulfanium.
What is the SMILES notation for methyl-bis[4-(4-methylphenyl)phenyl]sulfanium?
The canonical SMILES for methyl-bis[4-(4-methylphenyl)phenyl]sulfanium is Cc1ccc(-c2ccc([S+](C)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of methyl-bis[4-(4-methylphenyl)phenyl]sulfanium?
The InChIKey is AITRZOZBXFDTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25S/c1-20-4-8-22(9-5-20)24-12-16-26(17-13-24)28(3)27-18-14-25(15-19-27)23-10-6-21(2)7-11-23/h4-19H,1-3H3/q+1.
What are the key properties of methyl-bis[4-(4-methylphenyl)phenyl]sulfanium?
methyl-bis[4-(4-methylphenyl)phenyl]sulfanium has a molecular weight of 381.56 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[4-(4-methylphenyl)phenyl]sulfanium is sourced from PubChem (CID 88553212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).