1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine

C19H25NS2Si — CID 24809472

IUPAC1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine
SMILESCS/C(=N\c1ccccc1)SC(C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H25NS2Si/c1-16(15-23(3,4)18-13-9-6-10-14-18)22-19(21-2)20-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/b20-19+
InChIKeyWCUGCERYSZIORP-FMQUCBEESA-N
MW359.64 g/mol
LogP5.77
Rot. Bonds5

About 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine

1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine (PubChem CID 24809472) has the molecular formula C19H25NS2Si and a molecular weight of 359.64 g/mol. Its IUPAC name is 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine.

Molecular Properties

Compound Name1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine
PubChem CID24809472
Molecular FormulaC19H25NS2Si
Molecular Weight359.64 g/mol
Exact Mass359.12
IUPAC Name1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine
SMILESCS/C(=N\c1ccccc1)SC(C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H25NS2Si/c1-16(15-23(3,4)18-13-9-6-10-14-18)22-19(21-2)20-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/b20-19+
InChIKeyWCUGCERYSZIORP-FMQUCBEESA-N
XLogP5.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine?
The IUPAC name of 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine (CID 24809472) is 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine.
What is the SMILES notation for 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine?
The canonical SMILES for 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine is CS/C(=N\c1ccccc1)SC(C)C[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine?
The InChIKey is WCUGCERYSZIORP-FMQUCBEESA-N. The full InChI is InChI=1S/C19H25NS2Si/c1-16(15-23(3,4)18-13-9-6-10-14-18)22-19(21-2)20-17-11-7-5-8-12-17/h5-14,16H,15H2,1-4H3/b20-19+.
What are the key properties of 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine?
1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine has a molecular weight of 359.64 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[dimethyl(phenyl)silyl]propan-2-ylsulfanyl]-1-methylsulfanyl-N-phenylmethanimine is sourced from PubChem (CID 24809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).