AG002YYC

29639-68-7 | 4,​6(1H,​5H)​-​Pyrimidinedione, 2-​(methylthio)​-

AG002YYC

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CAS Number	29639-68-7
Catalog Number	AG002YYC(AGN-PC-0JRNTK)
Chemical Name	4,​6(1H,​5H)​-​Pyrimidinedione, 2-​(methylthio)​-
IUPAC Name	2-methylsulfanyl-1H-pyrimidine-4,6-dione
InChI	InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H2,1H3,(H,6,7,8,9)
InChI Key	RIPUYOLXCQRHOZ-UHFFFAOYSA-N
MDL Number	MFCD00006087
Molecular Formula	C5H6N2O2S
Molecular Weight	158.1783
SMILES	S(C)C1=NC(=O)CC(=O)N1
Synonyms	29639-68-7, 2-(methylthio)pyrimidine-4,6(1H,5H)-dione, 4,6(1h,5h)-pyrimidinedione, 2-(methylthio)-, AK-44268, 2-methylsulfanyl-1H-pyrimidine-4,6-dione, Barbituic acid analog, AC1LASG9, AC1Q6G1S, KSC496C1H, 2-Methylmercaptobarbituic acid, SCHEMBL117099, CTK3J6113, KS-00000NVF, 2-methylthiopyrimidine-4,6-dione, RIPUYOLXCQRHOZ-UHFFFAOYSA-N, ZINC3210958, ANW-23798, FCH829768, MFCD00613475, AKOS000601828, AKOS025243402, RTR-021684, TRA-0186325, AJ-44770, BR-44268, CJ-10625, AB0069400, TR-021684, 4CH-001581, Z4571, M-9370, Pyrimidine-4,6(1H,5H)-dione, 2-(methylthio)-, 2-(Methylsulfanyl)-4,6(3H,5H)-pyrimidinedione #, 2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidine-4,6-dione, 2-Methylthio-4,6-pyrimidinedione, S-Methylthiobarbituric Acid, C5H6N2O2S, 4,6-Dihydroxy-2-methythiopyrimidine, 4,6-dihydroxy-2-methylthio pyrimidine, AR-1F8493, CID474186, 1979-98-2, 19878-61-6,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.015g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.175g/mol
Monoisotopic Mass	158.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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