methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane

C26H24NSSi+ — CID 21342919

IUPACmethyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane
SMILESCc1cccc2[n+]1CSc1c-2cccc1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NSSi/c1-20-11-9-17-24-23-16-10-18-25(26(23)28-19-27(20)24)29(2,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18H,19H2,1-2H3/q+1
InChIKeyYFTRTLBIYRIODU-UHFFFAOYSA-N
MW410.64 g/mol
LogP4.11
Rot. Bonds3

About methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane

methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane (PubChem CID 21342919) has the molecular formula C26H24NSSi+ and a molecular weight of 410.64 g/mol. Its IUPAC name is methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane.

Molecular Properties

Compound Namemethyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane
PubChem CID21342919
Molecular FormulaC26H24NSSi+
Molecular Weight410.64 g/mol
Exact Mass410.14
IUPAC Namemethyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane
SMILESCc1cccc2[n+]1CSc1c-2cccc1[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NSSi/c1-20-11-9-17-24-23-16-10-18-25(26(23)28-19-27(20)24)29(2,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18H,19H2,1-2H3/q+1
InChIKeyYFTRTLBIYRIODU-UHFFFAOYSA-N
XLogP4.11
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane?
The IUPAC name of methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane (CID 21342919) is methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane.
What is the SMILES notation for methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane?
The canonical SMILES for methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane is Cc1cccc2[n+]1CSc1c-2cccc1[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane?
The InChIKey is YFTRTLBIYRIODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NSSi/c1-20-11-9-17-24-23-16-10-18-25(26(23)28-19-27(20)24)29(2,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-18H,19H2,1-2H3/q+1.
What are the key properties of methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane?
methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane has a molecular weight of 410.64 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(8-methyl-6H-pyrido[1,2-c][1,3]benzothiazin-7-ium-4-yl)-diphenylsilane is sourced from PubChem (CID 21342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).