methyl-(4-methylsulfinylphenyl)-phenylsulfanium

C14H15OS2+ — CID 16695717

IUPACmethyl-(4-methylsulfinylphenyl)-phenylsulfanium
SMILESCS(=O)c1ccc([S+](C)c2ccccc2)cc1
InChIInChI=1S/C14H15OS2/c1-16(12-6-4-3-5-7-12)13-8-10-14(11-9-13)17(2)15/h3-11H,1-2H3/q+1
InChIKeyCNKMKDQCQUSIJK-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.09
Rot. Bonds3

About methyl-(4-methylsulfinylphenyl)-phenylsulfanium

methyl-(4-methylsulfinylphenyl)-phenylsulfanium (PubChem CID 16695717) has the molecular formula C14H15OS2+ and a molecular weight of 263.41 g/mol. Its IUPAC name is methyl-(4-methylsulfinylphenyl)-phenylsulfanium.

Molecular Properties

Compound Namemethyl-(4-methylsulfinylphenyl)-phenylsulfanium
PubChem CID16695717
Molecular FormulaC14H15OS2+
Molecular Weight263.41 g/mol
Exact Mass263.06
IUPAC Namemethyl-(4-methylsulfinylphenyl)-phenylsulfanium
SMILESCS(=O)c1ccc([S+](C)c2ccccc2)cc1
InChIInChI=1S/C14H15OS2/c1-16(12-6-4-3-5-7-12)13-8-10-14(11-9-13)17(2)15/h3-11H,1-2H3/q+1
InChIKeyCNKMKDQCQUSIJK-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[4-(4-methylphenyl)sulfanylphenyl]sulfanium;hydron;methyl-(4-methylsulfanylphenyl)-phenylsulfanium;1-methyl-4-(4-methylsulfanylphenyl)sulfanylbenzene;methylsulfanylbenzene;1-methylsulfanyl-4-phenylsulfanylbenzene;methylsulfinylbenzene;bis(1-methylsulfinyl-4-phenylsulfanylbenzene);dihydrate
CID 158542622
4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 100976473
hydrogen peroxide;1-methylsulfanyl-4-phenylbenzene;1-methylsulfinyl-4-phenylbenzene
CID 159923023
cumene;methylsulfinylbenzene
CID 143291926
CID 123682153
CID 123682153
1-bromo-4-methylsulfinylbenzene
CID 3013958
4-methylsulfinylaniline
CID 11435065
1-(4-methylsulfinylphenyl)-N-phenylmethanimine
CID 118035773
1-methylsulfinyl-4-phenylmethoxybenzene
CID 70550112
1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene
CID 85215242
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
CID 85239919

Frequently Asked Questions

What is the IUPAC name of methyl-(4-methylsulfinylphenyl)-phenylsulfanium?
The IUPAC name of methyl-(4-methylsulfinylphenyl)-phenylsulfanium (CID 16695717) is methyl-(4-methylsulfinylphenyl)-phenylsulfanium.
What is the SMILES notation for methyl-(4-methylsulfinylphenyl)-phenylsulfanium?
The canonical SMILES for methyl-(4-methylsulfinylphenyl)-phenylsulfanium is CS(=O)c1ccc([S+](C)c2ccccc2)cc1.
What is the InChIKey of methyl-(4-methylsulfinylphenyl)-phenylsulfanium?
The InChIKey is CNKMKDQCQUSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OS2/c1-16(12-6-4-3-5-7-12)13-8-10-14(11-9-13)17(2)15/h3-11H,1-2H3/q+1.
What are the key properties of methyl-(4-methylsulfinylphenyl)-phenylsulfanium?
methyl-(4-methylsulfinylphenyl)-phenylsulfanium has a molecular weight of 263.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methylsulfinylphenyl)-phenylsulfanium is sourced from PubChem (CID 16695717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).