N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine

C20H18Cl2N2S4 — CID 122370972

IUPACN-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine
SMILESC=CCS/C(=N\c1ccc(Cl)cc1)SS/C(=N/c1ccc(Cl)cc1)SCC=C
InChIInChI=1S/C20H18Cl2N2S4/c1-3-13-25-19(23-17-9-5-15(21)6-10-17)27-28-20(26-14-4-2)24-18-11-7-16(22)8-12-18/h3-12H,1-2,13-14H2/b23-19+,24-20+
InChIKeyKBYSOIYENBUHJY-BLVCXSLXSA-N
MW485.55 g/mol
LogP8.89
Rot. Bonds6

About N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine

N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine (PubChem CID 122370972) has the molecular formula C20H18Cl2N2S4 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine
PubChem CID122370972
Molecular FormulaC20H18Cl2N2S4
Molecular Weight485.55 g/mol
Exact Mass483.97
IUPAC NameN-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine
SMILESC=CCS/C(=N\c1ccc(Cl)cc1)SS/C(=N/c1ccc(Cl)cc1)SCC=C
InChIInChI=1S/C20H18Cl2N2S4/c1-3-13-25-19(23-17-9-5-15(21)6-10-17)27-28-20(26-14-4-2)24-18-11-7-16(22)8-12-18/h3-12H,1-2,13-14H2/b23-19+,24-20+
InChIKeyKBYSOIYENBUHJY-BLVCXSLXSA-N
XLogP8.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine (CID 122370972) is N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine is C=CCS/C(=N\c1ccc(Cl)cc1)SS/C(=N/c1ccc(Cl)cc1)SCC=C.
What is the InChIKey of N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine?
The InChIKey is KBYSOIYENBUHJY-BLVCXSLXSA-N. The full InChI is InChI=1S/C20H18Cl2N2S4/c1-3-13-25-19(23-17-9-5-15(21)6-10-17)27-28-20(26-14-4-2)24-18-11-7-16(22)8-12-18/h3-12H,1-2,13-14H2/b23-19+,24-20+.
What are the key properties of N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine?
N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine has a molecular weight of 485.55 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[[N-(4-chlorophenyl)-C-prop-2-enylsulfanylcarbonimidoyl]disulfanyl]-1-prop-2-enylsulfanylmethanimine is sourced from PubChem (CID 122370972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).