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-

Technical Data

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:	65.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6