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Isothiazolo[5,4-d]pyrimidine-4,6(5H,7H)-dithione, 3-methyl-
SpectraBase Compound ID DYiwkdVtlQV
InChI InChI=1S/C6H5N3S3/c1-2-3-4(10)7-6(11)8-5(3)12-9-2/h1H3,(H2,7,8,10,11)
InChIKey PMCLBAPXITXKSH-UHFFFAOYSA-N
Mol Weight 215.31 g/mol
Molecular Formula C6H5N3S3
Exact Mass 214.964561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lh2OOmAqhO
Name Isothiazolo[5,4-d]pyrimidine-4,6(5H,7H)-dithione, 3-methyl-
CAS Registry Number 58648-98-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N3S3
InChI InChI=1S/C6H5N3S3/c1-2-3-4(10)7-6(11)8-5(3)12-9-2/h1H3,(H2,7,8,10,11)
InChIKey PMCLBAPXITXKSH-UHFFFAOYSA-N
Molecular Weight 215.307 g/mol
SMILES N1C(c2c(snc2C)NC1=S)=S
SPLASH splash10-014i-7890000000-2b7438535040f6080b5f
Source of Spectrum Y-12-887-0
Synonyms 3-Methyl-5H,7H-isothiazolo(5,4-d)pyridine-4,6-dithione 3-Methylisothiazolo[5,4-d]pyrimidine-4,6(5H,7H)-dithione
Wiley ID 1214285