1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium

C19H16NS+ — CID 149202475

IUPAC1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2sc3ccccc3c12
InChIInChI=1S/C19H16NS/c1-13-14(16-8-5-6-12-20(16)2)10-11-18-19(13)15-7-3-4-9-17(15)21-18/h3-12H,1-2H3/q+1
InChIKeyCZHGYNPCYHHPPP-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.85
Rot. Bonds1

About 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium

1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium (PubChem CID 149202475) has the molecular formula C19H16NS+ and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
PubChem CID149202475
Molecular FormulaC19H16NS+
Molecular Weight290.41 g/mol
Exact Mass290.10
IUPAC Name1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2sc3ccccc3c12
InChIInChI=1S/C19H16NS/c1-13-14(16-8-5-6-12-20(16)2)10-11-18-19(13)15-7-3-4-9-17(15)21-18/h3-12H,1-2H3/q+1
InChIKeyCZHGYNPCYHHPPP-UHFFFAOYSA-N
XLogP4.85
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
CID 146594533
9-methyl-10-(1-methylpyridin-1-ium-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 177095609
1-methyldibenzothiophene
CID 23839
1-(4-methylnaphthalen-1-yl)dibenzothiophene
CID 156896766
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695
1-methyl-2-(7-methyl-1-benzofuran-6-yl)pyridin-1-ium
CID 148870416
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;methane;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium
CID 160773137
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
2-(1-benzothiophen-2-yl)-1-methylpyridin-1-ium
CID 140700210

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium (CID 149202475) is 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium is Cc1c(-c2cccc[n+]2C)ccc2sc3ccccc3c12.
What is the InChIKey of 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium?
The InChIKey is CZHGYNPCYHHPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NS/c1-13-14(16-8-5-6-12-20(16)2)10-11-18-19(13)15-7-3-4-9-17(15)21-18/h3-12H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium?
1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium has a molecular weight of 290.41 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium is sourced from PubChem (CID 149202475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).