1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine

C20H16ClNS2 — CID 126080498

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClNS2/c1-23-20-5-3-2-4-19(20)22-14-15-6-10-17(11-7-15)24-18-12-8-16(21)9-13-18/h2-14H,1H3/b22-14+
InChIKeyRZYBAWLJWGKVBU-HYARGMPZSA-N
MW369.94 g/mol
LogP6.96
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine (PubChem CID 126080498) has the molecular formula C20H16ClNS2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
PubChem CID126080498
Molecular FormulaC20H16ClNS2
Molecular Weight369.94 g/mol
Exact Mass369.04
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
SMILESCSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClNS2/c1-23-20-5-3-2-4-19(20)22-14-15-6-10-17(11-7-15)24-18-12-8-16(21)9-13-18/h2-14H,1H3/b22-14+
InChIKeyRZYBAWLJWGKVBU-HYARGMPZSA-N
XLogP6.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-fluorophenyl)methanimine
CID 126074314
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine
CID 126107382
N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126103481
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126072005
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
CID 10854741
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
1-(5-methyl-1-phenylpyrrol-3-yl)-N-(2-methylsulfanylphenyl)methanimine
CID 50857772
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126245854
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine (CID 126080498) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine is CSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine?
The InChIKey is RZYBAWLJWGKVBU-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16ClNS2/c1-23-20-5-3-2-4-19(20)22-14-15-6-10-17(11-7-15)24-18-12-8-16(21)9-13-18/h2-14H,1H3/b22-14+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine has a molecular weight of 369.94 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 126080498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).