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CAS Number: 19759-66-1
2-aminobenzo[d]thiazole-6-carbonitrile

Structure

 2-aminobenzo[d]thiazole-6-carbonitrile
Name: 2-aminobenzo[d]thiazole-6-carbonitrile
Synonyms:
General Information
Product Number: 19759661

CAS Registry Number 19759-66-1
Name:
6-?Benzothiazolecarboni?trile, 2-?amino-
2-Amino-6-benzothiazolecarbonitrile
2-Amino-6-cyanobenzothiazole
2-Aminobenzo[d]thiazole-6-carbonitrile
2-Aminobenzothiazole-6-carbonitrile

 

Chemical Formula: C8H5N3S
Exact Mass: 175.02
Molecular Weight: 175.21
m/z: 175.02 (100.0%), 176.02 (10.6%), 177.02 (4.7%)

 

InChI:InChI=1S/C8H5N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-3H,(H2,10,11)

InChI Key:GDFCZZHSWGWCHP-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C#N)SC(=N2)N

 

Thermal Properties Value Condition Note
Melting Point 216-218 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 216-218 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 214-216 °C   (4)CAS
Melting Point See full text   (5)CAS

Specification

98%
References
  1. (2) Starcevic, Kristina; Heterocycles 2006, V68(11), P2285-2299 CAPLUS
  2. (3) Caleta, Irena; Structural Chemistry 2003, V14(6), P587-595 CAPLUS
  3. (4) Charris, Jaime; Journal of Chemical Research 2006, (12), P769-770 CAPLUS
  4. (5) Caleta, Irena; Journal of Medicinal Chemistry 2009, V52(6), P1744-1756 CAPLUS
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