| SpectraBase Spectrum ID |
CoWmzX0t9RN |
| Name |
4-Isothiazolecarbonitrile, 5-[(2-oxopropyl)thio]-3-phenyl- |
| CAS Registry Number |
126938-66-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10N2OS2 |
| InChI |
InChI=1S/C13H10N2OS2/c1-9(16)8-17-13-11(7-14)12(15-18-13)10-5-3-2-4-6-10/h2-6H,8H2,1H3 |
| InChIKey |
LPRLZOHRBDDBTB-UHFFFAOYSA-N |
| Molecular Weight |
274.356 g/mol |
| SMILES |
c1(c(nsc1SCC(=O)C)-c1ccccc1)C#N |
| SPLASH |
splash10-0006-9240000000-ca5cfdb85db839384c59 |
| Source of Spectrum |
B-42-1297-2 |
| Synonyms |
5-(2-Oxopropylthio)-3-phenylisothiazole-4-carbonitrile
5-[(2-oxopropyl)sulfanyl]-3-phenyl-4-isothiazolecarbonitrile |
| Wiley ID |
1277801 |
![4-Isothiazolecarbonitrile, 5-[(2-oxopropyl)thio]-3-phenyl-](/api/spectrum/CoWmzX0t9RN/structure.png?h=300&w=458 "4-Isothiazolecarbonitrile, 5-[(2-oxopropyl)thio]-3-phenyl-")
