1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine

C18H20N2O2S2 — CID 6394867

IUPAC1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine
SMILESCS(=O)c1ccccc1/C=N/CC/N=C/c1ccccc1S(C)=O
InChIInChI=1S/C18H20N2O2S2/c1-23(21)17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)24(2)22/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyOSMDQMMXIHAPQL-IWGRKNQJSA-N
MW360.50 g/mol
LogP2.70
Rot. Bonds7

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

1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine (PubChem CID 6394867) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine
PubChem CID6394867
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine
SMILESCS(=O)c1ccccc1/C=N/CC/N=C/c1ccccc1S(C)=O
InChIInChI=1S/C18H20N2O2S2/c1-23(21)17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)24(2)22/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyOSMDQMMXIHAPQL-IWGRKNQJSA-N
XLogP2.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.70
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-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine (CID 6394867) is 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine is CS(=O)c1ccccc1/C=N/CC/N=C/c1ccccc1S(C)=O.
What is the InChIKey of 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine?
The InChIKey is OSMDQMMXIHAPQL-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-23(21)17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)24(2)22/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+.
What are the key properties of 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine?
1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine has a molecular weight of 360.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 6394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).