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CAS Number: 98279-60-8
4-(ethoxycarbonyl)isothiazole-5-carboxylic acid

Structure

4-(ethoxycarbonyl)isothiazole-5-carboxylic acid
Name: 4-(ethoxycarbonyl)isothiazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 98279608

CAS Registry Number 98279-60-8
Name:
4,​5-​Isothiazoledicarboxy​lic acid, 4-​ethyl ester

 

Chemical Formula: C7H7NO4S
Exact Mass: 201.01
Molecular Weight: 201.20
m/z: 201.01 (100.0%), 202.01 (8.9%), 203.01 (5.4%)

 

InChI:InChI=1S/C7H7NO4S/c1-2-12-7(11)4-3-8-13-5(4)6(9)10/h3H,2H2,1H3,(H,9,10)

InChI Key:CBRCSOUIMAOAJQ-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=C(SN=C1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 83-84 °C   (1)CAS

Specification

98%

References
  1. (1) Adams, Arthur; Journal of the Chemical Society 1959, P3061-72 CAPLUS
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