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

C18H20N2S2 — CID 67984997

IUPAC1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine
SMILESCSc1ccccc1/C=N/CC/N=C/c1ccccc1SC
InChIInChI=1S/C18H20N2S2/c1-21-17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)22-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyBSMVFEPXWGOCMW-IWGRKNQJSA-N
MW328.51 g/mol
LogP4.67
Rot. Bonds7

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

1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine (PubChem CID 67984997) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine
PubChem CID67984997
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC Name1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine
SMILESCSc1ccccc1/C=N/CC/N=C/c1ccccc1SC
InChIInChI=1S/C18H20N2S2/c1-21-17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)22-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKeyBSMVFEPXWGOCMW-IWGRKNQJSA-N
XLogP4.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 54.67
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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Related Compounds

3-(4-Methylsulfanylphenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563840
1,3-Benzothiazine
CID 18989167
2,3-Dihydro-1,4-benzothiazepine
CID 68638158
2-Methylthiophenylmethylenimine
CID 88561931
(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
CID 146415986
N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
CID 173848019
N,N'-Bis-(4-methylsulfanyl-benzylidene)-hydrazine
CID 6871898
N-Benzylidene-N-(2-((2-(benzylideneamino)ethyl)dithio)ethyl)amine
CID 341718
N-(2-diphenylphosphanylethyl)-1-(2-methylsulfanylphenyl)methanimine
CID 102216534
1-(2-methylsulfinylphenyl)-N-[2-[(2-methylsulfinylphenyl)methylideneamino]ethyl]methanimine
CID 6394867
N-ethyl-1-(4-methylsulfanylphenyl)methanimine
CID 11217583
phenyl N-methylbenzenecarboximidothioate
CID 12557551

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The IUPAC name of 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine (CID 67984997) is 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine is CSc1ccccc1/C=N/CC/N=C/c1ccccc1SC.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine?
The InChIKey is BSMVFEPXWGOCMW-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-21-17-9-5-3-7-15(17)13-19-11-12-20-14-16-8-4-6-10-18(16)22-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+.
What are the key properties of 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine?
1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine has a molecular weight of 328.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-N-[2-[(2-methylsulfanylphenyl)methylideneamino]ethyl]methanimine is sourced from PubChem (CID 67984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).