methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane

C27H25NSSi — CID 21135473

IUPACmethyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc2c1SCN(c1ccccc1)C2
InChIInChI=1S/C27H25NSSi/c1-30(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-12-22-20-28(21-29-27(22)26)23-13-5-2-6-14-23/h2-19H,20-21H2,1H3
InChIKeyKMWWMHMHVUGFOA-UHFFFAOYSA-N
MW423.66 g/mol
LogP4.86
Rot. Bonds4

About methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane

methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane (PubChem CID 21135473) has the molecular formula C27H25NSSi and a molecular weight of 423.66 g/mol. Its IUPAC name is methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane.

Molecular Properties

Compound Namemethyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane
PubChem CID21135473
Molecular FormulaC27H25NSSi
Molecular Weight423.66 g/mol
Exact Mass423.15
IUPAC Namemethyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane
SMILESC[Si](c1ccccc1)(c1ccccc1)c1cccc2c1SCN(c1ccccc1)C2
InChIInChI=1S/C27H25NSSi/c1-30(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-12-22-20-28(21-29-27(22)26)23-13-5-2-6-14-23/h2-19H,20-21H2,1H3
InChIKeyKMWWMHMHVUGFOA-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.66
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane?
The IUPAC name of methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane (CID 21135473) is methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane.
What is the SMILES notation for methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane?
The canonical SMILES for methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane is C[Si](c1ccccc1)(c1ccccc1)c1cccc2c1SCN(c1ccccc1)C2.
What is the InChIKey of methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane?
The InChIKey is KMWWMHMHVUGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NSSi/c1-30(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-12-22-20-28(21-29-27(22)26)23-13-5-2-6-14-23/h2-19H,20-21H2,1H3.
What are the key properties of methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane?
methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane has a molecular weight of 423.66 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-(3-phenyl-2,4-dihydro-1,3-benzothiazin-8-yl)silane is sourced from PubChem (CID 21135473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).