8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine

C20H21N2SSi+ — CID 140839644

IUPAC8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine
SMILESCc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ncccc1S2
InChIInChI=1S/C20H21N2SSi/c1-14-10-11-16-19(18(14)15-8-5-6-13-22(15)2)24(3,4)20-17(23-16)9-7-12-21-20/h5-13H,1-4H3/q+1
InChIKeyWZVZRGGOYUWGCT-UHFFFAOYSA-N
MW349.56 g/mol
LogP3.17
Rot. Bonds1

About 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine

8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine (PubChem CID 140839644) has the molecular formula C20H21N2SSi+ and a molecular weight of 349.56 g/mol. Its IUPAC name is 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine.

Molecular Properties

Compound Name8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine
PubChem CID140839644
Molecular FormulaC20H21N2SSi+
Molecular Weight349.56 g/mol
Exact Mass349.12
IUPAC Name8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine
SMILESCc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ncccc1S2
InChIInChI=1S/C20H21N2SSi/c1-14-10-11-16-19(18(14)15-8-5-6-13-22(15)2)24(3,4)20-17(23-16)9-7-12-21-20/h5-13H,1-4H3/q+1
InChIKeyWZVZRGGOYUWGCT-UHFFFAOYSA-N
XLogP3.17
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine with MolForge

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Related Compounds

8-methyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzoxathiino[3,2-b]pyridine
CID 140839651
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
1-methyl-2-(3,5,5-trimethyl-6-phenanthren-9-ylbenzo[b][1]benzosilol-4-yl)pyridin-1-ium
CID 169077173
9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline
CID 140828029
6-methyl-5-(1-methylpyridin-1-ium-2-yl)-3-oxa-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 171051653
7-methyl-8-(1-methylpyridin-1-ium-2-yl)-1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 167357348
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
CID 159729812
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-yl]silane
CID 167358131

Frequently Asked Questions

What is the IUPAC name of 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine?
The IUPAC name of 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine (CID 140839644) is 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine.
What is the SMILES notation for 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine?
The canonical SMILES for 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine is Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ncccc1S2.
What is the InChIKey of 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine?
The InChIKey is WZVZRGGOYUWGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2SSi/c1-14-10-11-16-19(18(14)15-8-5-6-13-22(15)2)24(3,4)20-17(23-16)9-7-12-21-20/h5-13H,1-4H3/q+1.
What are the key properties of 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine?
8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine has a molecular weight of 349.56 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine is sourced from PubChem (CID 140839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).