1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine

C24H32N2S2 — CID 15882758

IUPAC1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine
SMILESCC(C)(C)Sc1ccccc1/C=N/CC/N=C/c1ccccc1SC(C)(C)C
InChIInChI=1S/C24H32N2S2/c1-23(2,3)27-21-13-9-7-11-19(21)17-25-15-16-26-18-20-12-8-10-14-22(20)28-24(4,5)6/h7-14,17-18H,15-16H2,1-6H3/b25-17+,26-18+
InChIKeyLKUDRIXVPKCDBB-RPCRKUJJSA-N
MW412.67 g/mol
LogP7.01
Rot. Bonds7

About 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine

1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine (PubChem CID 15882758) has the molecular formula C24H32N2S2 and a molecular weight of 412.67 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine
PubChem CID15882758
Molecular FormulaC24H32N2S2
Molecular Weight412.67 g/mol
Exact Mass412.20
IUPAC Name1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine
SMILESCC(C)(C)Sc1ccccc1/C=N/CC/N=C/c1ccccc1SC(C)(C)C
InChIInChI=1S/C24H32N2S2/c1-23(2,3)27-21-13-9-7-11-19(21)17-25-15-16-26-18-20-12-8-10-14-22(20)28-24(4,5)6/h7-14,17-18H,15-16H2,1-6H3/b25-17+,26-18+
InChIKeyLKUDRIXVPKCDBB-RPCRKUJJSA-N
XLogP7.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.67
LogP ≤ 57.01
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-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine (CID 15882758) is 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine is CC(C)(C)Sc1ccccc1/C=N/CC/N=C/c1ccccc1SC(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The InChIKey is LKUDRIXVPKCDBB-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H32N2S2/c1-23(2,3)27-21-13-9-7-11-19(21)17-25-15-16-26-18-20-12-8-10-14-22(20)28-24(4,5)6/h7-14,17-18H,15-16H2,1-6H3/b25-17+,26-18+.
What are the key properties of 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine?
1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine has a molecular weight of 412.67 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylphenyl)-N-[2-[(2-tert-butylsulfanylphenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 15882758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).