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

C20H16ClNS — CID 126107382

IUPAC1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClNS/c1-15-4-2-3-5-20(15)22-14-16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19/h2-14H,1H3/b22-14+
InChIKeyOWKOUXZOMDATIQ-HYARGMPZSA-N
MW337.88 g/mol
LogP6.55
Rot. Bonds4

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

1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126107382) has the molecular formula C20H16ClNS and a molecular weight of 337.88 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine
PubChem CID126107382
Molecular FormulaC20H16ClNS
Molecular Weight337.88 g/mol
Exact Mass337.07
IUPAC Name1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClNS/c1-15-4-2-3-5-20(15)22-14-16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19/h2-14H,1H3/b22-14+
InChIKeyOWKOUXZOMDATIQ-HYARGMPZSA-N
XLogP6.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.88
LogP ≤ 56.55
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-fluorophenyl)methanimine
CID 126074314
N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126103481
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
CID 126080498
N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126072005
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-(5-chloro-2-methylphenyl)-1-[4-[(5-chloro-2-methylphenyl)iminomethyl]phenyl]methanimine
CID 3304747
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
CID 10854741
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126245854
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine (CID 126107382) is 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is OWKOUXZOMDATIQ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16ClNS/c1-15-4-2-3-5-20(15)22-14-16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19/h2-14H,1H3/b22-14+.
What are the key properties of 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine?
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine has a molecular weight of 337.88 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126107382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).