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About This Item
Empirical Formula (Hill Notation):
C5H4O2S
CAS Number:
Molecular Weight:
128.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-423-4
Beilstein/REAXYS Number:
110150
MDL number:
Assay:
99%
Quality Level
product line
ReagentPlus®
assay
99%
bp
260 °C (lit.)
mp
125-127 °C (lit.)
SMILES string
OC(=O)c1cccs1
InChI
1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChI key
QERYCTSHXKAMIS-UHFFFAOYSA-N
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Matthew F McCown et al.
Antimicrobial agents and chemotherapy, 53(5), 2129-2132 (2009-03-11)
In vitro, telaprevir selects subtype-specific resistance pathways for hepatitis C virus GT-1a and GT-1b, as described to have occurred in patients. In GT-1a, the HCV-796 resistance mutation C316Y has low replication capacity (7%) that can be compensated for by the
Laval Chan et al.
Bioorganic & medicinal chemistry letters, 14(3), 797-800 (2004-01-27)
Further SAR studies on the thiophene-2-carboxylic acids are reported. These studies led to the identification of a series of tertiary amides that show inhibition of both HCV NS5B polymerase in vitro and HCV subgenomic RNA replication in Huh-7 cells. Structural
Kerim Babaoglu et al.
Nature chemical biology, 2(12), 720-723 (2006-10-31)
Fragment-based screens test multiple low-molecular weight molecules for binding to a target. Fragments often bind with low affinities but typically have better ligand efficiencies (DeltaG(bind)/heavy atom count) than traditional screening hits. This efficiency, combined with accompanying atomic-resolution structures, has made