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4-Pyridin-3-ylpyrimidine-2-thiol
SpectraBase Compound ID IpAqzQ5YATf
InChI InChI=1S/C9H7N3S/c13-9-11-5-3-8(12-9)7-2-1-4-10-6-7/h1-6H,(H,11,12,13)
InChIKey CGQNGCGHBQHWNP-UHFFFAOYSA-N
Mol Weight 189.24 g/mol
Molecular Formula C9H7N3S
Exact Mass 189.036068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FeBVVpH6vi
Name 4-Pyridin-3-ylpyrimidine-2-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3S
InChI InChI=1S/C9H7N3S/c13-9-11-5-3-8(12-9)7-2-1-4-10-6-7/h1-6H,(H,11,12,13)
InChIKey CGQNGCGHBQHWNP-UHFFFAOYSA-N
Molecular Weight 189.236 g/mol
SMILES Sc1nc(-c2cnccc2)ccn1
SPLASH splash10-000i-8900000000-e93bee6f2992ab15d5fa
Source of Spectrum AD-0-2532-0
Synonyms 4-(3-Pyridinyl)-2-pyrimidinethiol 6-(3-pyridinyl)-1H-pyrimidine-2-thione 6-(3-pyridyl)-1H-pyrimidine-2-thione 6-Pyridin-3-yl-1H-pyrimidine-2-thione
Wiley ID 1428206