N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine

C18H13Cl2NS2 — CID 5054141

IUPACN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine
SMILESClc1ccc(CSc2ccc(/N=C/c3cccs3)cc2)cc1Cl
InChIInChI=1S/C18H13Cl2NS2/c19-17-8-3-13(10-18(17)20)12-23-15-6-4-14(5-7-15)21-11-16-2-1-9-22-16/h1-11H,12H2/b21-11+
InChIKeyNWOWXHIMAXMVMV-SRZZPIQSSA-N
MW378.35 g/mol
LogP7.10
Rot. Bonds5

About N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine

N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine (PubChem CID 5054141) has the molecular formula C18H13Cl2NS2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine
PubChem CID5054141
Molecular FormulaC18H13Cl2NS2
Molecular Weight378.35 g/mol
Exact Mass376.99
IUPAC NameN-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine
SMILESClc1ccc(CSc2ccc(/N=C/c3cccs3)cc2)cc1Cl
InChIInChI=1S/C18H13Cl2NS2/c19-17-8-3-13(10-18(17)20)12-23-15-6-4-14(5-7-15)21-11-16-2-1-9-22-16/h1-11H,12H2/b21-11+
InChIKeyNWOWXHIMAXMVMV-SRZZPIQSSA-N
XLogP7.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine (CID 5054141) is N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine is Clc1ccc(CSc2ccc(/N=C/c3cccs3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine?
The InChIKey is NWOWXHIMAXMVMV-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H13Cl2NS2/c19-17-8-3-13(10-18(17)20)12-23-15-6-4-14(5-7-15)21-11-16-2-1-9-22-16/h1-11H,12H2/b21-11+.
What are the key properties of N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine?
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine has a molecular weight of 378.35 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 5054141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).