AG003QD5

774-07-2 | Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

AG003QD5

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CAS Number	774-07-2
Catalog Number	AG003QD5(AGN-PC-0OHZT0)
Chemical Name	Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
IUPAC Name	ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
InChI	InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
InChI Key	DKTWKRWWQKVQQB-UHFFFAOYSA-N
MDL Number	MFCD00023227
Molecular Formula	C7H9N3O2S
Molecular Weight	199.2303
NSC Number	9308
SMILES	O=C(C1=C(N)NC(N=C1)=S)OCC
Synonyms	774-07-2, Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate, ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate, ETHYL 4-AMINO-2-MERCAPROPYRIMIDINE-5-CARBOXYLATE, NSC 9308, Ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate, 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester, DKTWKRWWQKVQQB-UHFFFAOYSA-N, MFCD00023227, Ethyl 4-amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylate, ethyl 6-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate, Ethyl 4-amino-2-sulfanyl-5-pyrimidinecarboxylate, ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-amino-2-sulfanylidene-1,2-dihydropyrimidine-5-carboxylate, NSC9308, AC1LFSFX, PubChem15243, AC1Q7EYX, Maybridge1_001122, AC1Q34BJ, 5-carbethoxy-2-thiocytosine, AC1Q333C, SCHEMBL3092283, CTK3J6745, CTK6F7070, HMS544K22, DTXSID20228108, NSC-9308, WLN: T6N CNJ BSH DZ EVO2, ZERO/004627, ZINC8476372, ANW-48370, CCG-15034, RW3140, SBB024243, STK258051, STK750370, STK836117, 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester, AKOS000100217, AKOS001586544, AKOS005615592, AS-9146, HP23868, MCULE-7681899851, NE22052, QC-2710, VP50320, AJ-57589, BAS 11151621, BR-29526, CJ-15878, HC210125, LS-134838, RT-003239, ST4096389, BB 0217306, CS-0078660, EU-0033308, FT-0626070, ST24030665, W8399, X6100, S-4448, 774E072, AN-584/40148165, SR-01000388261, ethyl 4-amino-2-thioxo-3H-pyrimidine-5-carboxylate, I03-0684, SR-01000388261-1, W-203774, ethyl 4-amino-2-thioxo-3-hydropyrimidine-5-carboxylate, 2-Mercapto-4-aminopyrimidine-5-carboxylic acid ethyl ester, 4-amino-2-mercaptopyrimidine-5-carboxylic acid ethyl ester, ethyl 4-amino-2-sulfanylidene-3H-pyrimidine-5-carboxylate, ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid,2-dihydro-2-thioxo-, ethyl ester, 5-Pyrimidinecarboxylic acid, 4-amino-2,3-dihydro-2-thioxo-, ethyl ester, 6-Amino-2-thioxo-1,2-dihydro-pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-imino-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester (9CI), C7H9N3O2S, C7-H9-N3-O2-S, AR-1I9188, CID759149, 5-Pyrimidinecarboxylic acid, ethyl ester, Ethyl4-Amino-2-mercaptopyrimidine-5-carboxylate, 2223-96-3, 78436-02-9,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	199.228g/mol
Monoisotopic Mass	199.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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