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136994-83-7

136994-83-7 | 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-bromophenyl)-

CAS No: 136994-83-7 Catalog No: AG0012O3 MDL No:

Product Description

Catalog Number:
AG0012O3
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-bromophenyl)-
CAS Number:
136994-83-7
Molecular Formula:
C15H11BrN2S
Molecular Weight:
331.2302
IUPAC Name:
1-(3-bromophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C15H11BrN2S/c16-11-5-3-4-10(8-11)15-18-13-7-2-1-6-12(13)17-14(18)9-19-15/h1-8,15H,9H2
InChI Key:
WMEXLDJBKXUZPX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C1SCc2n1c1ccccc1n2
NSC Number:
625474

Properties

Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.983g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.231g/mol
Monoisotopic Mass:
329.983g/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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