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CAS Number: 99748-44-4
benzo[d]isothiazol-2-ium 1,4-diazepin-1-ide

Structure

benzo[d]isothiazol-2-ium 1,4-diazepin-1-ide
Name: benzo[d]isothiazol-2-ium 1,4-diazepin-1-ide
Synonyms:
General Information
Product Number: 99748444

CAS Registry Number 99748-44-4
Name:
1,​2-​Benzisothiazole, 3-​(hexahydro-​1H-​1,​4-​diazepin-​1-​yl)​-
1H-1,4-Diazepine, 1,2-benzisothiazole deriv.

 

Chemical Formula: C12H11N3S
Exact Mass: 229.07
Molecular Weight: 229.30
m/z: 229.07 (100.0%), 230.07 (13.9%), 231.06 (4.5%), 230.06 (1.1%), 231.07 (1.0%)

 

InChI:InChI=1S/C12H15N3S/c1-2-5-11-10(4-1)12(14-16-11)15-8-3-6-13-7-9-15/h1-2,4-5,13H,3,6-9H2

InChI Key:JFQKDJUJUUPSJS-UHFFFAOYSA-N

Canonical SMILES:C1CNCCN(C1)C2=NSC3=CC=CC=C32

Specification

98%

References

Eur. Pat. Appl. (1992), EP 494817 A1 19920715. 

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