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136994-85-9 | 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chlorophenyl)-
CAS No: 136994-85-9 Catalog No: AG0012O1 MDL No:
Product Description
Catalog Number:
AG0012O1
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chlorophenyl)-
CAS Number:
136994-85-9
Molecular Formula:
C15H11ClN2S
Molecular Weight:
286.7792
IUPAC Name:
1-(2-chlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C15H11ClN2S/c16-11-6-2-1-5-10(11)15-18-13-8-4-3-7-12(13)17-14(18)9-19-15/h1-8,15H,9H2
InChI Key:
NMTHEQHYUCNJIO-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C1SCc2n1c1ccccc1n2
NSC Number:
625477
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.777g/mol
Monoisotopic Mass:
286.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Anti-HIV agents. I: Synthesis and in vitro anti-HIV evaluation of novel 1H,3H-thiazolo[3,4-a]benzimidazoles. | Farmaco (Societa chimica italiana : 1989) 19910601 |
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