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

C19H13Cl2NS — CID 126093434

IUPACN-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESClc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H13Cl2NS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+
InChIKeyGDAFXJZXPKJEBT-LPYMAVHISA-N
MW358.29 g/mol
LogP6.90
Rot. Bonds4

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

N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (PubChem CID 126093434) has the molecular formula C19H13Cl2NS and a molecular weight of 358.29 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
PubChem CID126093434
Molecular FormulaC19H13Cl2NS
Molecular Weight358.29 g/mol
Exact Mass357.01
IUPAC NameN-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESClc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C19H13Cl2NS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+
InChIKeyGDAFXJZXPKJEBT-LPYMAVHISA-N
XLogP6.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 56.90
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

N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
1-(4-chlorophenyl)-N-(4-iodophenyl)methanimine
CID 631038
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-fluorophenyl)methanimine
CID 126074314
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylphenyl)methanimine
CID 126107382
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine
CID 554614
N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126239325
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
CID 126080498
N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126103481
N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126072005

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (CID 126093434) is N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is Clc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The InChIKey is GDAFXJZXPKJEBT-LPYMAVHISA-N. The full InChI is InChI=1S/C19H13Cl2NS/c20-15-3-7-17(8-4-15)22-13-14-1-9-18(10-2-14)23-19-11-5-16(21)6-12-19/h1-13H/b22-13+.
What are the key properties of N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine has a molecular weight of 358.29 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126093434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).