5-nitro-2-[(2-pyrimidinyl)thio]nicotinic acid, hydrate

SpectraBase Compound ID	DhDmPstlQ4q
InChI	InChI=1S/C10H6N4O4S.H2O/c15-9(16)7-4-6(14(17)18)5-13-8(7)19-10-11-2-1-3-12-10;/h1-5H,(H,15,16);1H2
InChIKey	ZGNKOMJQPRCWKB-UHFFFAOYSA-N Google Search
Mol Weight	296.257 g/mol
Molecular Formula	C10H8N4O5S
Exact Mass	296.021541 g/mol

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SpectraBase Spectrum ID	FgtdoX1XlPU
Name	5-NITRO-2-[(2-PYRIMIDINYL)THIO]NICOTINIC ACID, HYDRATE
Source of Sample	J. C. JAMOULLE, UNIVERSITY OF LIEGE, LIEGE, BELGIUM
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C10H8N4O5S
InChI	InChI=1S/C10H6N4O4S.H2O/c15-9(16)7-4-6(14(17)18)5-13-8(7)19-10-11-2-1-3-12-10;/h1-5H,(H,15,16);1H2
InChIKey	ZGNKOMJQPRCWKB-UHFFFAOYSA-N
Literature Reference	ANN. PHARM. FR. 37, 331(1979) Abstract-Chemical Abstracts= 92, 215383(1980)
Melting Point	172-174C
Molecular Weight	296.256989
Synonyms	NICOTINIC ACID, 5-NITRO- 2-//2-PYRIMIDINYL/THIO/-, HYDRATE
Technique	KBr WAFER