AG00364T

23945-50-8 | 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-

AG00364T

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CAS Number	23945-50-8
Catalog Number	AG00364T(AGN-PC-0KNP8C)
Chemical Name	5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-
EC Number	245-948-8
IUPAC Name	4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
InChI	InChI=1S/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChI Key	XKHWTDCFQVKNHW-UHFFFAOYSA-N
MDL Number	MFCD00038020
Molecular Formula	C5H4N2O3S
Molecular Weight	172.1619
SMILES	O=C1NC(NC=C1C(=O)O)=S
Synonyms	2-Thiouracil-5-carboxylic acid, 23945-50-8, 5-Carboxy-2-thiouracil, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, 4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, XKHWTDCFQVKNHW-UHFFFAOYSA-N, MFCD00038020, 5-Carboxy-4-hydroxy-2-thiopyrimidine, 4-Hydroxy-2-mercaptopyrimidine-5-carboxylic Acid, W-202002, 4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, 6-oxo-2-thioxo-1,3-dihydropyrimidine-5-carboxylic acid, EINECS 245-948-8, AC1MHE3W, SCHEMBL2282306, SCHEMBL9151319, DTXSID6066943, CTK1A5784, 1,2,3,4-Tetrahydro-4-oxo-2-thioxopyrimidine-5-carboxylic acid, KS-00000N9B, ZINC5248443, FCH837754, SBB058139, AKOS002391698, AKOS015898475, GS-5619, MCULE-9382232313, AK327607, CS-0045608, FT-0692567, ST51014968, 4-Hydroxy-2-mercapto-5-pyrimidinecarboxylic acid, 4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid, I09-3315, 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid, 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid, 4-Oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid #, 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, C5H4N2O3S, AIDS081832, C5-H4-N2-O3-S, CID3002041, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-Pyrimidinecarboxylic acid, 51568-18-4,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.994g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	172.158g/mol
Monoisotopic Mass	171.994g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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