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CAS Number: 98899-30-0
2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Structure

2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Name: 2-amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Synonyms:
General Information
Product Number: 98899300

CAS Registry Number 98899-30-0
Name:
Benzo[b]​thiophene-​3-​carbonitrile, 2-​amino-​4,​5,​6,​7-​tetrahydro-​7-​oxo-
2-Amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-Amino-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

 

Chemical Formula: C9H8N2OS
Exact Mass: 192.04
Molecular Weight: 192.24
m/z: 192.04 (100.0%), 193.04 (10.7%), 194.03 (4.5%)

 

InChI:InChI=1S/C9H8N2OS/c10-4-6-5-2-1-3-7(12)8(5)13-9(6)11/h1-3,11H2

InChI Key:XMZNDMVUUNFZEB-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C(C(=O)C1)SC(=C2C#N)N

Specification

98%

References

(2) Ziaulla, Mohamed; Acta Crystallographica, Section E: Structure Reports Online 2010, V66(10), Po2616-o2617 CAPLUS

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