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CAS Number: 5908-62-3
isothiazolidine 1,1-dioxide

Structure

isothiazolidine 1,1-dioxide
Name: isothiazolidine 1,1-dioxide
Synonyms:
General Information
Product Number: 5908623
CAS Registry Number: 
5908-62-3
Name:
Isothiazolidine, 1,1-dioxide
1,1-Dioxoisothiazolidine; 1,2-Thiazolidine 1,1-dioxide 
 
Chemical Formula: C3H7NO2S
Exact Mass: 121.02
Molecular Weight: 121.16
m/z: 121.02 (100.0%), 123.02 (5.0%), 122.02 (4.5%)
Elemental Analysis: C, 29.74; H, 5.82; N, 11.56; O, 26.41; S, 26.47
 
InChI: InChI=1S/C3H7NO2S/c5-7(6)3-1-2-4-7/h4H,1-3H2
InChIKey: XGYCWCIGCYGQFU-UHFFFAOYSA-N
Canonical SMILES : C1CNS(=O)(=O)C1
 
 
Thermal Properties Value Condition Note
Boiling Point 128-132 °C Press: 0.18 Torr (1)CAS
Melting Point 145-146 °C   (1)CAS
Melting Point 21.5-22.0 °C (decomp)   (1)CAS

Specification

98%

References
  1. (1) Feichtinger, Hans; Chemische Berichte 1963, V96(11), P3068-75 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Kausch, M.; Organic Magnetic Resonance 1977, V10, P208-12 CAPLUS
  4. (4) White, Emil H.; Journal of Organic Chemistry 1987, V52(11), P2162-6 CAPLUS
  5. (5) Sato, R.; Science of Synthesis 2007, V39, P735-743 CAPLUS
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