1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine

C30H28N2S2 — CID 59301881

IUPAC1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine
SMILESCSc1ccc(-c2ccccc2/C=N/CC/N=C/c2ccccc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C30H28N2S2/c1-33-27-15-11-23(12-16-27)29-9-5-3-7-25(29)21-31-19-20-32-22-26-8-4-6-10-30(26)24-13-17-28(34-2)18-14-24/h3-18,21-22H,19-20H2,1-2H3/b31-21+,32-22+
InChIKeyAILZSMGFUQCEOY-RWRHWQIFSA-N
MW480.70 g/mol
LogP8.00
Rot. Bonds9

About 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine

1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine (PubChem CID 59301881) has the molecular formula C30H28N2S2 and a molecular weight of 480.70 g/mol. Its IUPAC name is 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine
PubChem CID59301881
Molecular FormulaC30H28N2S2
Molecular Weight480.70 g/mol
Exact Mass480.17
IUPAC Name1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine
SMILESCSc1ccc(-c2ccccc2/C=N/CC/N=C/c2ccccc2-c2ccc(SC)cc2)cc1
InChIInChI=1S/C30H28N2S2/c1-33-27-15-11-23(12-16-27)29-9-5-3-7-25(29)21-31-19-20-32-22-26-8-4-6-10-30(26)24-13-17-28(34-2)18-14-24/h3-18,21-22H,19-20H2,1-2H3/b31-21+,32-22+
InChIKeyAILZSMGFUQCEOY-RWRHWQIFSA-N
XLogP8.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine?
The IUPAC name of 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine (CID 59301881) is 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine is CSc1ccc(-c2ccccc2/C=N/CC/N=C/c2ccccc2-c2ccc(SC)cc2)cc1.
What is the InChIKey of 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine?
The InChIKey is AILZSMGFUQCEOY-RWRHWQIFSA-N. The full InChI is InChI=1S/C30H28N2S2/c1-33-27-15-11-23(12-16-27)29-9-5-3-7-25(29)21-31-19-20-32-22-26-8-4-6-10-30(26)24-13-17-28(34-2)18-14-24/h3-18,21-22H,19-20H2,1-2H3/b31-21+,32-22+.
What are the key properties of 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine?
1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine has a molecular weight of 480.70 g/mol, XLogP of 8.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfanylphenyl)phenyl]-N-[2-[[2-(4-methylsulfanylphenyl)phenyl]methylideneamino]ethyl]methanimine is sourced from PubChem (CID 59301881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).