N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine

C20H16INS — CID 126239325

IUPACN-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C20H16INS/c1-15-2-10-19(11-3-15)23-20-12-4-16(5-13-20)14-22-18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14+
InChIKeyQTNVYIIAUDJUSM-HYARGMPZSA-N
MW429.33 g/mol
LogP6.50
Rot. Bonds4

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

N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (PubChem CID 126239325) has the molecular formula C20H16INS and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
PubChem CID126239325
Molecular FormulaC20H16INS
Molecular Weight429.33 g/mol
Exact Mass429.00
IUPAC NameN-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C20H16INS/c1-15-2-10-19(11-3-15)23-20-12-4-16(5-13-20)14-22-18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14+
InChIKeyQTNVYIIAUDJUSM-HYARGMPZSA-N
XLogP6.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126235228
N-(4-chlorophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126093434
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
1-(4-chlorophenyl)-N-(4-iodophenyl)methanimine
CID 631038
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
CID 142040768
1-[4-(4-chlorophenyl)sulfanylphenyl]-N-(4-phenylphenyl)methanimine
CID 126113362
N-(4-bromophenyl)-1-[4-(4-chlorophenyl)sulfanylphenyl]methanimine
CID 126104707

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (CID 126239325) is N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is Cc1ccc(Sc2ccc(/C=N/c3ccc(I)cc3)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The InChIKey is QTNVYIIAUDJUSM-HYARGMPZSA-N. The full InChI is InChI=1S/C20H16INS/c1-15-2-10-19(11-3-15)23-20-12-4-16(5-13-20)14-22-18-8-6-17(21)7-9-18/h2-14H,1H3/b22-14+.
What are the key properties of N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine has a molecular weight of 429.33 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).