N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine

C20H15Cl2NS — CID 126103481

IUPACN-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NS/c1-14-19(22)3-2-4-20(14)23-13-15-5-9-17(10-6-15)24-18-11-7-16(21)8-12-18/h2-13H,1H3/b23-13+
InChIKeyFWWKRNASSTUKAS-YDZHTSKRSA-N
MW372.32 g/mol
LogP7.20
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine

N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (PubChem CID 126103481) has the molecular formula C20H15Cl2NS and a molecular weight of 372.32 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
PubChem CID126103481
Molecular FormulaC20H15Cl2NS
Molecular Weight372.32 g/mol
Exact Mass371.03
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NS/c1-14-19(22)3-2-4-20(14)23-13-15-5-9-17(10-6-15)24-18-11-7-16(21)8-12-18/h2-13H,1H3/b23-13+
InChIKeyFWWKRNASSTUKAS-YDZHTSKRSA-N
XLogP7.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 57.20
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
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-fluorophenyl)methanimine
CID 126074314
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(2-methylsulfanylphenyl)methanimine
CID 126080498
N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 780574
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
N-(4-bromo-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126072005
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707
N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25765
N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
CID 708140
1-(4-chlorophenyl)-N-(2-iodophenyl)methanimine
CID 10854741

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine (CID 126103481) is N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is Cc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
The InChIKey is FWWKRNASSTUKAS-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15Cl2NS/c1-14-19(22)3-2-4-20(14)23-13-15-5-9-17(10-6-15)24-18-11-7-16(21)8-12-18/h2-13H,1H3/b23-13+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine?
N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine has a molecular weight of 372.32 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126103481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).