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Home > Imidazoles > 136994-96-2
136994-96-2 | 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methylphenyl)-
CAS No: 136994-96-2 Catalog No: AG0012NR MDL No:
Product Description
Catalog Number:
AG0012NR
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methylphenyl)-
CAS Number:
136994-96-2
Molecular Formula:
C16H14N2S
Molecular Weight:
266.3608
IUPAC Name:
1-(3-methylphenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C16H14N2S/c1-11-5-4-6-12(9-11)16-18-14-8-3-2-7-13(14)17-15(18)10-19-16/h2-9,16H,10H2,1H3
InChI Key:
DXMCBXOONDVGLN-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1SCc2n1c1ccccc1n2
NSC Number:
625476
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.362g/mol
Monoisotopic Mass:
266.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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