2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile
2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile
Also Known As: 2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile|Chlorothalonil (TCPN) metabolite|2,5,6-trichloro-4-thio-isophthalonitrile|2,5,6-Trichloro-4-mercaptoisophthalonitrile|2,4,5-trichloro-6-sulfanyl-benzene-1,3-dicarbonitrile|2,4,5-Trichloro-6-mercaptobenzene-1,3-dicarbonitrile
| Molecular Formula | C8HCl3N2S |
|---|---|
| Molecular Weight | 261.8926 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.8926 |
| Monoisotopic Mass | 261.8926 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 56952-99-9 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)S |
| InChIKey | KGMXSMDGCRJARP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile (CAS 56952-99-9), with molecular formula C8HCl3N2S and molecular weight 261.8926 g/mol. IUPAC: 2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile.
2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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