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Home > Fluorides > 136995-00-1
136995-00-1 | 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[2-(trifluoromethyl)phenyl]-
CAS No: 136995-00-1 Catalog No: AG0012NN MDL No:
Product Description
Catalog Number:
AG0012NN
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-[2-(trifluoromethyl)phenyl]-
CAS Number:
136995-00-1
Molecular Formula:
C16H11F3N2S
Molecular Weight:
320.3321
IUPAC Name:
1-[2-(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C16H11F3N2S/c17-16(18,19)11-6-2-1-5-10(11)15-21-13-8-4-3-7-12(13)20-14(21)9-22-15/h1-8,15H,9H2
InChI Key:
XRQBDCFVJBPNHH-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1C1SCc2n1c1ccccc1n2)(F)F
NSC Number:
626758
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.333g/mol
Monoisotopic Mass:
320.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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