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CAS Number: 952424-10-1
7-mercapto-3,4-dihydroisoquinolin-1(2H)-one

Structure

 7-mercapto-3,4-dihydroisoquinolin-1(2H)-one
Name: 7-mercapto-3,4-dihydroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 952424101

CAS Registry Number 952424-10-1
Name:
1(2H)?-?Isoquinolinone, 3,?4-?dihydro-?7-?mercapto-

 

Chemical Formula: C9H9NOS
Exact Mass: 179.04
Molecular Weight: 179.24
m/z: 179.04 (100.0%), 180.04 (10.9%), 181.04 (4.8%)

 

InChI:InChI=1S/C9H9NOS/c11-9-8-5-7(12)2-1-6(8)3-4-10-9/h1-2,5,12H,3-4H2,(H,10,11)

InChI Key:KJBLDVKFNUUZIV-UHFFFAOYSA-N

Canonical SMILES:C1CNC(=O)C2=C1C=CC(=C2)S

Specification

98%
References

PCT Int. Appl. (2007), WO 2007115821 A2 20071018.                                 
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