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

C20H15BrClNS — CID 126072005

IUPACN-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESCc1cc(Br)ccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15BrClNS/c1-14-12-16(21)4-11-20(14)23-13-15-2-7-18(8-3-15)24-19-9-5-17(22)6-10-19/h2-13H,1H3/b23-13+
InChIKeyJSQNOPOLOJQBMW-YDZHTSKRSA-N
MW416.77 g/mol
LogP7.31
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (PubChem CID 126072005) has the molecular formula C20H15BrClNS and a molecular weight of 416.77 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
PubChem CID126072005
Molecular FormulaC20H15BrClNS
Molecular Weight416.77 g/mol
Exact Mass414.98
IUPAC NameN-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESCc1cc(Br)ccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15BrClNS/c1-14-12-16(21)4-11-20(14)23-13-15-2-7-18(8-3-15)24-19-9-5-17(22)6-10-19/h2-13H,1H3/b23-13+
InChIKeyJSQNOPOLOJQBMW-YDZHTSKRSA-N
XLogP7.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.77
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylphenyl)methanimine
CID 126107382
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 2189393
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-(2-fluorophenyl)methanimine
CID 126074314
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
CID 126080498
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
N-(5-chloro-2-methylphenyl)-1-[4-[(5-chloro-2-methylphenyl)iminomethyl]phenyl]methanimine
CID 3304747
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126245854
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (CID 126072005) is N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is Cc1cc(Br)ccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The InChIKey is JSQNOPOLOJQBMW-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15BrClNS/c1-14-12-16(21)4-11-20(14)23-13-15-2-7-18(8-3-15)24-19-9-5-17(22)6-10-19/h2-13H,1H3/b23-13+.
What are the key properties of N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine has a molecular weight of 416.77 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126072005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).