686727
Benzo[b]thiophene-2-carbonitrile
97%
Synonym(s):
2-Cyanobenzothiophene, Thianaphthene-2-carbonitrile
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About This Item
Empirical Formula (Hill Notation):
C9H5NS
CAS Number:
Molecular Weight:
159.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
InChI
1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
SMILES string
N#Cc1cc2ccccc2s1
InChI key
RCYHXESNWFYTCU-UHFFFAOYSA-N
assay
97%
form
solid
bp
140 °C/0.5 mmHg
mp
24-28 °C
functional group
nitrile
Application
Useful starter in benzothiophene chemistry.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>230.0 °F - closed cup
flash_point_c
> 110 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Uwe Koch et al.
Journal of medicinal chemistry, 49(5), 1693-1705 (2006-03-03)
Infections caused by hepatitis C virus (HCV) are a significant world health problem for which novel therapies are in urgent demand. The polymerase of HCV is responsible for the replication of viral RNA. We recently disclosed dihydroxypyrimidine carboxylates 2 as
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