[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane

C19H27NOSSi — CID 122208778

IUPAC[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane
SMILESCC[Si](CC)(CC)N=S(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NOSSi/c1-4-23(5-2,6-3)20-22(21,19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7-16H,4-6,17H2,1-3H3
InChIKeyOKFVPOBSYDNQHA-UHFFFAOYSA-N
MW345.58 g/mol
LogP5.72
Rot. Bonds7

About [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane

[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane (PubChem CID 122208778) has the molecular formula C19H27NOSSi and a molecular weight of 345.58 g/mol. Its IUPAC name is [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane.

Molecular Properties

Compound Name[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane
PubChem CID122208778
Molecular FormulaC19H27NOSSi
Molecular Weight345.58 g/mol
Exact Mass345.16
IUPAC Name[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane
SMILESCC[Si](CC)(CC)N=S(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NOSSi/c1-4-23(5-2,6-3)20-22(21,19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7-16H,4-6,17H2,1-3H3
InChIKeyOKFVPOBSYDNQHA-UHFFFAOYSA-N
XLogP5.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane?
The IUPAC name of [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane (CID 122208778) is [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane.
What is the SMILES notation for [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane?
The canonical SMILES for [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane is CC[Si](CC)(CC)N=S(=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane?
The InChIKey is OKFVPOBSYDNQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NOSSi/c1-4-23(5-2,6-3)20-22(21,19-15-11-8-12-16-19)17-18-13-9-7-10-14-18/h7-16H,4-6,17H2,1-3H3.
What are the key properties of [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane?
[(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane has a molecular weight of 345.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzyl-oxo-phenyl-λ6-sulfanylidene)amino]-triethylsilane is sourced from PubChem (CID 122208778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).