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CAS Number: 66975-83-5
3-methylisothiazole-4-carboxylic acid

Structure

3-methylisothiazole-4-carboxylic acid
Name: 3-methylisothiazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 66975835
CAS Registry Number: 66975-83-5
Name:
        5-​Isothiazolecarboxyli​c acid, 3-​methyl-
        3-​Methylisothiazole-​5-​carboxylic acid; NSC 119863 
 
Chemical Formula: C5H5NO2S
Exact Mass: 143.00
Molecular Weight: 143.16
m/z: 143.00 (100.0%), 144.01 (5.5%), 145.00 (4.5%), 144.00 (1.2%)
Elemental Analysis: C, 41.95; H, 3.52; N, 9.78; O, 22.35; S, 22.40
 
InChI: InChI=1S/C5H5NO2S/c1-3-2-4(5(7)8)9-6-3/h2H,1H3,(H,7,8)
InChIKey: YANZAAFELHVNQZ-UHFFFAOYSA-N
Canonical SMILES : CC1=NSC(=C1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 206 °C (decomp)   (1)CAS
Melting Point 205-206 °C (decomp)   (2)CAS
Melting Point See full text   (3)CAS

Specification

98%

References

 

  1. (1) Adams, Arthur; Journal of the Chemical Society 1959, P3061-72 CAPLUS
  2. (2) Adams, Arthur; GB 835753 1960 CAPLUS
  3. (3) NL 6607796 1966 CAPLUS
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