For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 6,7-dihydro-3-methyl-6-thioxo-
SpectraBase Compound ID BIVOt0FgdvT
InChI InChI=1S/C6H5N3OS2/c1-2-3-4(10)7-6(11)8-5(3)12-9-2/h1H3,(H2,7,8,10,11)
InChIKey QHJNLLRQQIBTGM-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C6H5N3OS2
Exact Mass 198.987404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ENNMZrwluQr
Name Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 6,7-dihydro-3-methyl-6-thioxo-
CAS Registry Number 58648-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N3OS2
InChI InChI=1S/C6H5N3OS2/c1-2-3-4(10)7-6(11)8-5(3)12-9-2/h1H3,(H2,7,8,10,11)
InChIKey QHJNLLRQQIBTGM-UHFFFAOYSA-N
Molecular Weight 199.246 g/mol
SMILES N1C(c2c(snc2C)NC1=S)=O
SPLASH splash10-0005-3900000000-3a3cd939eb01d8f615d4
Source of Spectrum Y-12-887-0
Synonyms 3-Methyl-5H,7H-isothiazolo(5,4-d)pyrimidin-4-one-6-thione 3-Methyl-6-thioxo-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
Wiley ID 1196442