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CAS Number: 41808-35-9
5-amino-3-methylisothiazole-4-carbonitrile

Structure

 5-amino-3-methylisothiazole-4-carbonitrile
Name: 5-amino-3-methylisothiazole-4-carbonitrile
Synonyms:
General Information
Product Number: 41808359

CAS Registry Number 41808-35-9
Name:
4-?Isothiazolecarbonitr?ile, 5-?amino-?3-?methyl-
5-Amino-3-methylisothiazole-4-carbonitrile
5-Amino-4-cyano-3-methylisothiazole

 

Chemical Formula: C5H5N3S
Exact Mass: 139.02
Molecular Weight: 139.18
m/z: 139.02 (100.0%), 140.02 (7.3%), 141.02 (4.6%)

 

InChI:InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3

InChI Key:PJQFZPWSFDVYIF-UHFFFAOYSA-N

Canonical SMILES:CC1=NSC(=C1C#N)N

 

Thermal Properties Value Condition Note
Melting Point 202-204 °C Solv: ethyl acetate (141-78-6) (3)IC
Melting Point 202 °C Solv: ethyl acetate (141-78-6); ligroine (8032-32-4) (4)CAS

Specification

98%
References
  1. (3) Anderson, Richard C.; Journal of Heterocyclic Chemistry 1975, V12(5), P883-7 CAPLUS
  2. (4) Goerdeler, Joachim; Chemische Berichte 1963, V96, P526-33 CAPLUS
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