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CAS Number: 175334-72-2
isoxazole-5-carbothioamide

Structure

isoxazole-5-carbothioamide
Name: isoxazole-5-carbothioamide
Synonyms:
General Information
Product Number: 175334722
CAS Registry Number: 175334-72-2
Name:
5-​Isoxazolecarbothioam​ide
 
Chemical Formula: C4H4N2OS
Exact Mass: 128.00
Molecular Weight: 128.15
m/z: 128.00 (100.0%), 130.00 (4.6%), 129.01 (4.4%), 129.00 (1.5%)
Elemental Analysis: C, 37.49; H, 3.15; N, 21.86; O, 12.48; S, 25.02
 
InChI: InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
InChIKey: CEDRGDFENMZKCQ-UHFFFAOYSA-N
Canonical SMILES : C1=C(ON=C1)C(=S)N

Specification

98%

References

PCT Int. Appl. (2013), WO 2013163279 A1 20131031.

PCT Int. Appl. (2003), WO 2003099827 A1 20031204.

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