AG003MLF

38026-46-9 | Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

AG003MLF

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CAS Number	38026-46-9
Catalog Number	AG003MLF(AGN-PC-0RF77D)
Chemical Name	Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
EC Number	253-749-2
IUPAC Name	ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate
InChI	InChI=1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)
InChI Key	FQFSHLBWRUOCPX-UHFFFAOYSA-N
MDL Number	MFCD00006074
Molecular Formula	C7H8N2O3S
Molecular Weight	200.2150
SMILES	S=C(N1)NC=C(C(OCC)=O)C1=O
Synonyms	5-carbethoxy-2-thiouracil, 38026-46-9, 5-Carbethoxy-2-thiouracil, Ethyl 2-thiouracil-5-carboxylate, 5-Ethoxycarbonyl-2-thiouracil, 2-Mercapto-5-carbethoxyuracil, ethyl 4-hydroxy-2-mercaptopyrimidine-5-carboxylate, ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, Uracil, 5-carbethoxy-2-thio-, 5-Carboethoxy-2-thiouracil, NSC 11999, EINECS 253-749-2, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester, AI3-22945, 4-Hydroxy-2-mercapto-5-pyrimidinecarboxylic acid ethyl ester, 2-Thioisoorotic acid ethyl ester, 5-Pyrimidinecarboxylic acid, 4-hydroxy-2-mercapto-, ethyl ester, FQFSHLBWRUOCPX-UHFFFAOYSA-N, MFCD00006074, 2-Mercapto-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-oxo-2-thioxo-1H-pyrimidine-5-carboxylate, ethyl 2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carboxylate, ethyl 4-hydroxy-2-sulfanylpyrimidine-5-carboxylate, ethyl 6-oxo-2-thioxo-1,3-dihydropyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester, 5-Pyrimidinecarboxylic acid,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester, AC1LEH0R, Maybridge4_000365, ACMC-1BN94, SCHEMBL1810204, CHEMBL3272429, SCHEMBL18585976, CTK4H9153, KS-00001DMU, DTXSID30191435, NSC1584, HMS1522A13, BCP25539, CS-B0229, NSC-1584, NSC11999, 3638AH, ANW-42238, BBL002468, CCG-45725, NSC-11999, SBB056783, STL087653, ZINC16971237, AKOS001457140, AKOS001922184, AKOS024015190, MCULE-5033178862, RP04242, VZ30294, IDI1_030947, NCGC00177658-01, DB-049227, LS-134863, 5-Carbethoxy-4-hydroxy-2-mercaptopyrimidine, EU-0037696, FT-0613453, ST50307172, Y8931, 2-mercapto-4-hydroxy-5-ethoxycarbonylpyrimidine, A18706, K-8323, L-3513, SR-01000428889, ethyl 4-oxo-2-sulfanyl-3H-pyrimidine-5-carboxylate, I09-3314, J-521022, J-640148, J-800152, SR-01000428889-1, SR-01000635476-1, BRD-K55244769-001-01-2, ethyl 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylate, F0913-0248, F2145-0075, ethyl 6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, ethyl 4-hydroxy-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate, Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, Ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #, 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4-oxo-2-thioxo-,ethylester, 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester, 2-Acetamidothiazole, C7H8N2O3S, C7-H8-N2-O3-S, CID735952,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.026g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	200.212g/mol
Monoisotopic Mass	200.026g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	99.5A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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