N5XJ7VUP6Z
2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
Also Known As: (2E)-2-[(5E)-5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-tr|2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile|Benzenepropanenitrile, alpha,alpha'-1,2,4-trithiolane-3,5-diylidenebis[beta-imino-
CAS: 64247-77-4
| Molecular Formula | C20H12N4S3 |
|---|---|
| Molecular Weight | 404.0224 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0224 |
| Monoisotopic Mass | 404.0224 |
| Heavy Atoms | 27 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 64247-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=N)C(=C2SC(=C(C#N)C(=N)C3=CC=CC=C3)SS2)C#N |
| InChIKey | PZHYZFKULDZSQA-UHFFFAOYSA-N |
Product Overview
N5XJ7VUP6Z (CAS 64247-77-4), with molecular formula C20H12N4S3 and molecular weight 404.0224 g/mol. IUPAC: 2-[5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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