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CAS Number: 822-54-8
isothiazole-4-carbaldehyde

Structure

isothiazole-4-carbaldehyde
Name: isothiazole-4-carbaldehyde
Synonyms:
General Information
Product Number: 822548
CAS Registry Number: 822-54-8
Name:
        4-​Isothiazolecarboxald​ehyde
 
Chemical Formula: C4H3NOS
Exact Mass: 112.99
Molecular Weight: 113.14
m/z: 112.99 (100.0%), 114.99 (4.5%), 114.00 (4.4%), 113.99 (1.2%)
Elemental Analysis: C, 42.46; H, 2.67; N, 12.38; O, 14.14; S, 28.34
 
InChI: InChI=1S/C4H3NOS/c6-2-4-1-5-7-3-4/h1-3H
InChIKey: UNRYEXYOMXENNP-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=NS1)C=O
 
Thermal Properties Value Condition Note
Melting Point 57 °C   (1)CAS

Specification

98%

References
  1. (1) Huebenett, Fritz; DE 1179553 1964 CAPLUS
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