5-Chloro-6-(2,3-dichlorophenoxy)-1,3-dihydro-2H-Benzimidazole-2-thione - CAS 68828-69-3
Catalog: |
BB069872 |
Product Name: |
5-Chloro-6-(2,3-dichlorophenoxy)-1,3-dihydro-2H-Benzimidazole-2-thione |
CAS: |
68828-69-3 |
Synonyms: |
AC1N9P61; TRICLABENDAZOLE METABOLITE M8; 5-chloro-6-(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione; 2H-Benzimidazole-2-thione, 5-chloro-6-(2,3-dichlorophenoxy)-1,3-dihydro- |
IUPAC Name: | 5-chloro-6-(2,3-dichlorophenoxy)-1,3-dihydrobenzimidazole-2-thione |
Description: | 5-Chloro-6-(2,3-dichlorophenoxy)-1,3-dihydro-2H-Benzimidazole-2-thione is used in the preparation of triclabendazoles which are drugs used to treat liver fluke. |
Molecular Weight: | 345.63 |
Molecular Formula: | C13H7Cl3N2OS |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Cl)OC2=C(C=C3C(=C2)NC(=S)N3)Cl |
InChI: | InChI=1S/C13H7Cl3N2OS/c14-6-2-1-3-10(12(6)16)19-11-5-9-8(4-7(11)15)17-13(20)18-9/h1-5H,(H2,17,18,20) |
InChI Key: | FUAVONSJNAMFPO-UHFFFAOYSA-N |
References: | Iddon, B., et al.:Journal of the Chemical Society 22, 3129 (1992). |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.934467 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.934467 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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