N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine

C21H18BrNS — CID 126235228

IUPACN-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(C)c3)cc2)cc1
InChIInChI=1S/C21H18BrNS/c1-15-3-8-19(9-4-15)24-20-10-5-17(6-11-20)14-23-18-7-12-21(22)16(2)13-18/h3-14H,1-2H3/b23-14+
InChIKeyISDAFZAFFYCYFM-OEAKJJBVSA-N
MW396.35 g/mol
LogP6.97
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine

N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (PubChem CID 126235228) has the molecular formula C21H18BrNS and a molecular weight of 396.35 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
PubChem CID126235228
Molecular FormulaC21H18BrNS
Molecular Weight396.35 g/mol
Exact Mass395.03
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
SMILESCc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(C)c3)cc2)cc1
InChIInChI=1S/C21H18BrNS/c1-15-3-8-19(9-4-15)24-20-10-5-17(6-11-20)14-23-18-7-12-21(22)16(2)13-18/h3-14H,1-2H3/b23-14+
InChIKeyISDAFZAFFYCYFM-OEAKJJBVSA-N
XLogP6.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.35
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine (CID 126235228) is N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(C)c3)cc2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
The InChIKey is ISDAFZAFFYCYFM-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18BrNS/c1-15-3-8-19(9-4-15)24-20-10-5-17(6-11-20)14-23-18-7-12-21(22)16(2)13-18/h3-14H,1-2H3/b23-14+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine?
N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine has a molecular weight of 396.35 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine is sourced from PubChem (CID 126235228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).