5-CHLORO-1-(2-METHOXYETHYL)-1H-BENZIMIDAZOLE-2-THIOL

1. Names and Identifiers

1.2 Synonyms: 2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-1-(2-methoxyethyl)-; 5-Chloro-1-(2-methoxyethyl)-1H-1,3-benzodiazole-2-thiol; 6-chloro-3-(2-methoxyethyl)-1H-benzimidazole-2-thione;

1.6 Inchi: InChI=1S/C10H11ClN2OS/c1-14-5-4-13-9-3-2-7(11)6-8(9)12-10(13)15/h2-3,6H,4-5H2,1H3,(H,12,15)

2. Computed Properties

Molecular Weight：242.721g/mol
Molecular Formula：C₁₀H₁₁ClN₂OS
Compound Is Canonicalized：True
Exact Mass：1.8
XLogP3-AA：242.0280618
Monoisotopic Mass：242.0280618
Complexity：252
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：56.6
Heavy Atom Count：：15
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzIABEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgYQAAAACArhkCYzwIPABACEACRCQACCAAAhBwkIiAAIdoiKYCLBk5GVIAhokALYyCcQAAAAAABAAAIAACAAAIAABAAAQAAAAAAAAA==