CAS Registry Number: 1050392-29-4

Name:

5-​Isothiazolamine, 3-​(4-​methoxyphenyl)​-​4-​methyl-

Chemical Formula: C11H12N2OS
Exact Mass: 220.07
Molecular Weight: 220.29
m/z: 220.07 (100.0%), 221.07 (12.9%), 222.06 (4.5%), 222.07 (1.0%)

InChI: InChI=1S/C11H12N2OS/c1-7-10(13-15-11(7)12)8-3-5-9(14-2)6-4-8/h3-6H,12H2,1-2H3
InChIKey: VAIJKTHAHKDKKB-UHFFFAOYSA-N
Canonical SMILES : CC1=C(SN=C1C2=CC=C(C=C2)OC)N

Specification

98%

PCT Int. Appl. (2008), WO 2008103185 A2 20080828.

Bioorganic & Medicinal Chemistry Letters (2012), 22(7), 2514-2517.