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CAS Number: 20067-15-6
5-iodo-3-methylisothiazole

Structure

5-iodo-3-methylisothiazole
Name: 5-iodo-3-methylisothiazole
Synonyms:
General Information
Product Number: 20067156
CAS Registry Number: 20067-15-6
Name:
        Isothiazole, 5-​iodo-​3-​methyl-
 
Chemical Formula: C4H4INS
Exact Mass: 224.91
Molecular Weight: 225.05
m/z: 224.91 (100.0%), 225.91 (5.5%), 226.91 (4.6%)
Elemental Analysis: C, 21.35; H, 1.79; I, 56.39; N, 6.22; S, 14.25
 
InChI: InChI=1S/C4H4INS/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKey: BKAZKAKFTYEOIA-UHFFFAOYSA-N
Canonical SMILES : CC1=NSC(=C1)I

Specification

98%

References

PCT Int. Appl. (2012), WO 2012177714 A1 20121227. 

PCT Int. Appl. (2000), WO 2000076993 A1 20001221.                                  

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