N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine

C22H22NPS — CID 102216534

IUPACN-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b23-18+
InChIKeyHCLMJJZXUSTMEL-PTGBLXJZSA-N
MW363.47 g/mol
LogP4.96
Rot. Bonds7

About N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine

N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine (PubChem CID 102216534) has the molecular formula C22H22NPS and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine
PubChem CID102216534
Molecular FormulaC22H22NPS
Molecular Weight363.47 g/mol
Exact Mass363.12
IUPAC NameN-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b23-18+
InChIKeyHCLMJJZXUSTMEL-PTGBLXJZSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine?
The IUPAC name of N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine (CID 102216534) is N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine?
The canonical SMILES for N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine is CSc1ccccc1/C=N/CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine?
The InChIKey is HCLMJJZXUSTMEL-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H22NPS/c1-25-22-15-9-8-10-19(22)18-23-16-17-24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,18H,16-17H2,1H3/b23-18+.
What are the key properties of N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine?
N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine has a molecular weight of 363.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 102216534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).