[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine

C16H17NS — CID 10515193

IUPAC[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1CSCC
InChIInChI=1S/C16H17NS/c1-2-18-12-14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3/b17-16+
InChIKeyNQWPAFQYMZFVBX-WUKNDPDISA-N
MW255.39 g/mol
LogP4.36
Rot. Bonds5

About [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine

[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine (PubChem CID 10515193) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
PubChem CID10515193
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1CSCC
InChIInChI=1S/C16H17NS/c1-2-18-12-14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3/b17-16+
InChIKeyNQWPAFQYMZFVBX-WUKNDPDISA-N
XLogP4.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfanylmethyl)benzoic acid
CID 12757760
2-(benzenecarboximidoyl)benzenecarbothioamide
CID 87473973
N-[2-(benzenecarboximidoyl)phenyl]propan-2-imine
CID 139968797
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 167985714
3-(ethylsulfanylmethyl)-2-fluorobenzoic acid
CID 107119816
[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine
CID 170361542
[2-(benzenecarboximidoyl)phenyl] 2-methylpropanoate
CID 146420860
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766
diphenylmethanimine;ethane
CID 145102767
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
N-but-3-enyl-2-(ethylsulfanylmethyl)benzamide
CID 10753156
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine?
The IUPAC name of [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine (CID 10515193) is [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine.
What is the SMILES notation for [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine?
The canonical SMILES for [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine is [H]/N=C(\c1ccccc1)c1ccccc1CSCC.
What is the InChIKey of [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine?
The InChIKey is NQWPAFQYMZFVBX-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NS/c1-2-18-12-14-10-6-7-11-15(14)16(17)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3/b17-16+.
What are the key properties of [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine?
[2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine has a molecular weight of 255.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)phenyl]-phenylmethanimine is sourced from PubChem (CID 10515193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).