N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine

C11H7Cl2NS — CID 2740508

IUPACN-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine
SMILESClc1ccc(/N=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H7Cl2NS/c12-8-1-3-9(4-2-8)14-7-10-5-6-11(13)15-10/h1-7H/b14-7+
InChIKeyRDDYBZOGUVGRSG-VGOFMYFVSA-N
MW256.16 g/mol
LogP4.81
Rot. Bonds2

About N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine

N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine (PubChem CID 2740508) has the molecular formula C11H7Cl2NS and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine
PubChem CID2740508
Molecular FormulaC11H7Cl2NS
Molecular Weight256.16 g/mol
Exact Mass254.97
IUPAC NameN-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine
SMILESClc1ccc(/N=C/c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H7Cl2NS/c12-8-1-3-9(4-2-8)14-7-10-5-6-11(13)15-10/h1-7H/b14-7+
InChIKeyRDDYBZOGUVGRSG-VGOFMYFVSA-N
XLogP4.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 54.81
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-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine (CID 2740508) is N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine is Clc1ccc(/N=C/c2ccc(Cl)s2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine?
The InChIKey is RDDYBZOGUVGRSG-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H7Cl2NS/c12-8-1-3-9(4-2-8)14-7-10-5-6-11(13)15-10/h1-7H/b14-7+.
What are the key properties of N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine?
N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine has a molecular weight of 256.16 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)methanimine is sourced from PubChem (CID 2740508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).