methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium

C17H21S+ — CID 86723347

IUPACmethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](C)c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C17H21S/c1-12-11-17(15(4)14(3)13(12)2)18(5)16-9-7-6-8-10-16/h6-11H,1-5H3/q+1
InChIKeyZONIBAOQFXPGBS-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.59
Rot. Bonds2

About methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium

methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (PubChem CID 86723347) has the molecular formula C17H21S+ and a molecular weight of 257.42 g/mol. Its IUPAC name is methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.

Molecular Properties

Compound Namemethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
PubChem CID86723347
Molecular FormulaC17H21S+
Molecular Weight257.42 g/mol
Exact Mass257.14
IUPAC Namemethyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium
SMILESCc1cc([S+](C)c2ccccc2)c(C)c(C)c1C
InChIInChI=1S/C17H21S/c1-12-11-17(15(4)14(3)13(12)2)18(5)16-9-7-6-8-10-16/h6-11H,1-5H3/q+1
InChIKeyZONIBAOQFXPGBS-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.59
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

methyl-(4-methylphenyl)-(2,3,4,5-tetramethylphenyl)sulfanium;trifluoromethanesulfonate
CID 131740991
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
bromobenzene;1,2,3,4,5-pentamethylbenzene;technetium;chloride
CID 139171217
benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
CID 91269426
CID 174773535
CID 174773535
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,3,4-tetramethyl-5-(1-phenylethenyl)benzene
CID 4285324
phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride
CID 158650690
bis(dimethyl(phenyl)sulfanium);trifluoromethanesulfonate;2,3,4-trimethylbenzenesulfonate
CID 159165480
benzene;1,2-xylene
CID 161464493
N-(N-hydroxyanilino)-N-(2,3,4,5-tetramethylphenyl)hydroxylamine
CID 151867891
1-phenyl-2-(2,3,4,5-tetramethylphenyl)ethane-1,2-dithione
CID 18994072

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The IUPAC name of methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium (CID 86723347) is methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium.
What is the SMILES notation for methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The canonical SMILES for methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is Cc1cc([S+](C)c2ccccc2)c(C)c(C)c1C.
What is the InChIKey of methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
The InChIKey is ZONIBAOQFXPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21S/c1-12-11-17(15(4)14(3)13(12)2)18(5)16-9-7-6-8-10-16/h6-11H,1-5H3/q+1.
What are the key properties of methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium?
methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium has a molecular weight of 257.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-(2,3,4,5-tetramethylphenyl)sulfanium is sourced from PubChem (CID 86723347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).