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CAS Number: 89033-17-0
isothiazol-3-ylmethanol

Structure

isothiazol-3-ylmethanol
Name: isothiazol-3-ylmethanol
Synonyms:
General Information
Product Number: 89033170
CAS Registry Number: 89033-17-0
Name:
        3-​Isothiazolemethanol
        3-​(Hydroxymethyl)​isothiazole 
 
Chemical Formula: C4H5NOS
Exact Mass: 115.01
Molecular Weight: 115.15
m/z: 115.01 (100.0%), 116.01 (5.5%), 117.00 (4.5%)
Elemental Analysis: C, 41.72; H, 4.38; N, 12.16; O, 13.89; S, 27.85
 
InChI: InChI=1S/C4H5NOS/c6-3-4-1-2-7-5-4/h1-2,6H,3H2
InChIKey: CITJCTCNTRIEKZ-UHFFFAOYSA-N
Canonical SMILES : C1=CSN=C1CO

Specification

98%

References

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

PCT Int. Appl. (1998), WO 9850385 A1 19981112.

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