tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane

C19H25NOSSi — CID 14340235

IUPACtert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane
SMILESCSc1cccc2c1Oc1ccccc1N2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H25NOSSi/c1-19(2,3)23(5,6)20-14-10-7-8-12-16(14)21-18-15(20)11-9-13-17(18)22-4/h7-13H,1-6H3
InChIKeyDFGSFJVEUMWRPM-UHFFFAOYSA-N
MW343.57 g/mol
LogP6.66
Rot. Bonds2

About tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane

tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane (PubChem CID 14340235) has the molecular formula C19H25NOSSi and a molecular weight of 343.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane
PubChem CID14340235
Molecular FormulaC19H25NOSSi
Molecular Weight343.57 g/mol
Exact Mass343.14
IUPAC Nametert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane
SMILESCSc1cccc2c1Oc1ccccc1N2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H25NOSSi/c1-19(2,3)23(5,6)20-14-10-7-8-12-16(14)21-18-15(20)11-9-13-17(18)22-4/h7-13H,1-6H3
InChIKeyDFGSFJVEUMWRPM-UHFFFAOYSA-N
XLogP6.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.57
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane?
The IUPAC name of tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane (CID 14340235) is tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane is CSc1cccc2c1Oc1ccccc1N2[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane?
The InChIKey is DFGSFJVEUMWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOSSi/c1-19(2,3)23(5,6)20-14-10-7-8-12-16(14)21-18-15(20)11-9-13-17(18)22-4/h7-13H,1-6H3.
What are the key properties of tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane?
tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane has a molecular weight of 343.57 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methylsulfanylphenoxazin-10-yl)silane is sourced from PubChem (CID 14340235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).