CAS Registry Number: 4965-26-8
Name:

5-nitrobenzo[b]thiophene

5-nitro-1-benzothiophene

Chemical Formula: C8H5NO2S
Exact Mass: 179.00
Molecular Weight: 179.20
m/z: 179.00 (100.0%), 180.01 (8.8%), 181.00 (4.6%), 180.00 (1.2%)

InChI
InChI=1S/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChI Key
NOVKHIQVXQKSRL-UHFFFAOYSA-N
Canonical SMILES
C1=CC2=C(C=CS2)C=C1[N+](=O)[O-]

Specification

98%

ACS Medicinal Chemistry Letters (2017), 8(3), 338-343

ACS Medicinal Chemistry Letters (2016), 7(8), 735-740