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

*Links on SpectraBase are not permalinks.
6-[2-Carboxyethyl]-3-mercapto-5-oxo-2,5-dihydro-1,2,4-triazine
SpectraBase Compound ID G1onfyMkDr5
InChI InChI=1S/C6H7N3O3S/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
InChIKey YWUNWMADAOHUTF-UHFFFAOYSA-N
Mol Weight 201.2 g/mol
Molecular Formula C6H7N3O3S
Exact Mass 201.020812 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 5XFA3TRxeJx
Name 6-[2-Carboxyethyl]-3-mercapto-5-oxo-2,5-dihydro-1,2,4-triazine
CAS Registry Number 7338-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O3S
InChI InChI=1S/C6H7N3O3S/c10-4(11)2-1-3-5(12)7-6(13)9-8-3/h1-2H2,(H,10,11)(H2,7,9,12,13)
InChIKey YWUNWMADAOHUTF-UHFFFAOYSA-N
Molecular Weight 201.200 g/mol
SMILES OC(CCC1=NNC(NC1=O)=S)=O
SPLASH splash10-0pb9-9420000000-e5808282dd2f5afe0632
Synonyms 3-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)propionic acid 3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid 3-(5-Oxo-3-sulfanyl-2,5-dihydro-1,2,4-triazin-6-yl)propanoic acid 3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid 3-(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid 3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)propanoic acid
Wiley ID 1440510