(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine

C16H16N2S2 — CID 6871898

IUPAC(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine
SMILESCSc1ccc(/C=N/N=C/c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H16N2S2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+
InChIKeyFOQIYAFYRAQLKK-JYFOCSDGSA-N
MW300.45 g/mol
LogP4.58
Rot. Bonds5

About (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine

(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine (PubChem CID 6871898) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine
PubChem CID6871898
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine
SMILESCSc1ccc(/C=N/N=C/c2ccc(SC)cc2)cc1
InChIInChI=1S/C16H16N2S2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+
InChIKeyFOQIYAFYRAQLKK-JYFOCSDGSA-N
XLogP4.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine (CID 6871898) is (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine is CSc1ccc(/C=N/N=C/c2ccc(SC)cc2)cc1.
What is the InChIKey of (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine?
The InChIKey is FOQIYAFYRAQLKK-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+.
What are the key properties of (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine?
(E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine has a molecular weight of 300.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylsulfanylphenyl)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 6871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).