2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium

C20H19OS2+ — CID 27101180

IUPAC2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium
SMILESCSc1ccc(-c2cc(C)[o+]c(-c3ccc(SC)cc3)c2)cc1
InChIInChI=1S/C20H19OS2/c1-14-12-17(15-4-8-18(22-2)9-5-15)13-20(21-14)16-6-10-19(23-3)11-7-16/h4-13H,1-3H3/q+1
InChIKeyUTLBZERAZVTUQI-UHFFFAOYSA-N
MW339.51 g/mol
LogP6.65
Rot. Bonds4

About 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium

2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium (PubChem CID 27101180) has the molecular formula C20H19OS2+ and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium.

Molecular Properties

Compound Name2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium
PubChem CID27101180
Molecular FormulaC20H19OS2+
Molecular Weight339.51 g/mol
Exact Mass339.09
IUPAC Name2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium
SMILESCSc1ccc(-c2cc(C)[o+]c(-c3ccc(SC)cc3)c2)cc1
InChIInChI=1S/C20H19OS2/c1-14-12-17(15-4-8-18(22-2)9-5-15)13-20(21-14)16-6-10-19(23-3)11-7-16/h4-13H,1-3H3/q+1
InChIKeyUTLBZERAZVTUQI-UHFFFAOYSA-N
XLogP6.65
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
CID 12779622
2-methyl-4,6-bis(4-propoxyphenyl)pyrylium
CID 3092041
2,6-bis(4-methoxyphenyl)-4-methylsulfanylpyrylium
CID 12672455
4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
CID 140885402
2,4-bis(4-methylphenyl)-6-thiophen-3-ylpyrylium tetrafluoroborate
CID 153334323
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
2-chloro-1,4-bis(4-methylsulfanylphenyl)benzene;ethane
CID 145412484
2,4,6-tris(4-bromophenyl)pyrylium
CID 11365661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium?
The IUPAC name of 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium (CID 27101180) is 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium.
What is the SMILES notation for 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium?
The canonical SMILES for 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium is CSc1ccc(-c2cc(C)[o+]c(-c3ccc(SC)cc3)c2)cc1.
What is the InChIKey of 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium?
The InChIKey is UTLBZERAZVTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OS2/c1-14-12-17(15-4-8-18(22-2)9-5-15)13-20(21-14)16-6-10-19(23-3)11-7-16/h4-13H,1-3H3/q+1.
What are the key properties of 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium?
2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium has a molecular weight of 339.51 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(4-methylsulfanylphenyl)pyrylium is sourced from PubChem (CID 27101180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).