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

*Links on SpectraBase are not permalinks.
Acetic acid, [(4-amino-2-pyrimidinyl)thio]-
SpectraBase Compound ID CdaS7Cw1Vgc
InChI InChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKey JFBBHFVRALBIAT-UHFFFAOYSA-N
Mol Weight 185.2 g/mol
Molecular Formula C6H7N3O2S
Exact Mass 185.025898 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 BukUIqWg77d
Name Acetic acid, [(4-amino-2-pyrimidinyl)thio]-
Alternate Name(s) 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid 2-(4-azanylpyrimidin-2-yl)sulfanylethanoic acid 2-[(4-amino-2-pyrimidinyl)thio]acetic acid 2-[(4-aminopyrimidin-2-yl)thio]acetic acid
CAS Registry Number 61445-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O2S
InChI InChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKey JFBBHFVRALBIAT-UHFFFAOYSA-N
Molecular Weight 185.201 g/mol
SMILES Nc1nc(SCC(=O)O)ncc1
SPLASH splash10-0006-9500000000-dd3835e7e69739892c0a
Source of Spectrum K-109-3624-0
Wiley ID 1181665