N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine

C13H19NSSi — CID 140768181

IUPACN-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine
SMILESCc1cccc(/N=C2\CC2S[Si](C)(C)C)c1
InChIInChI=1S/C13H19NSSi/c1-10-6-5-7-11(8-10)14-12-9-13(12)15-16(2,3)4/h5-8,13H,9H2,1-4H3/b14-12+
InChIKeyONVTYWZPRQUWMM-WYMLVPIESA-N
MW249.45 g/mol
LogP4.41
Rot. Bonds3

About N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine

N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine (PubChem CID 140768181) has the molecular formula C13H19NSSi and a molecular weight of 249.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine
PubChem CID140768181
Molecular FormulaC13H19NSSi
Molecular Weight249.45 g/mol
Exact Mass249.10
IUPAC NameN-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine
SMILESCc1cccc(/N=C2\CC2S[Si](C)(C)C)c1
InChIInChI=1S/C13H19NSSi/c1-10-6-5-7-11(8-10)14-12-9-13(12)15-16(2,3)4/h5-8,13H,9H2,1-4H3/b14-12+
InChIKeyONVTYWZPRQUWMM-WYMLVPIESA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine?
The IUPAC name of N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine (CID 140768181) is N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine.
What is the SMILES notation for N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine?
The canonical SMILES for N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine is Cc1cccc(/N=C2\CC2S[Si](C)(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine?
The InChIKey is ONVTYWZPRQUWMM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NSSi/c1-10-6-5-7-11(8-10)14-12-9-13(12)15-16(2,3)4/h5-8,13H,9H2,1-4H3/b14-12+.
What are the key properties of N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine?
N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine has a molecular weight of 249.45 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-trimethylsilylsulfanylcyclopropan-1-imine is sourced from PubChem (CID 140768181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).