AG003MAA

18593-44-7 | 5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one

AG003MAA

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CAS Number	18593-44-7
Catalog Number	AG003MAA(AGN-PC-0JQPHU)
Chemical Name	5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one
IUPAC Name	5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI	InChI=1S/C8H8N2OS/c1-4-5(2)12-8-6(4)7(11)9-3-10-8/h3H,1-2H3,(H,9,10,11)
InChI Key	QAFMGDDXMIKGEY-UHFFFAOYSA-N
MDL Number	MFCD00463622
Molecular Formula	C8H8N2OS
Molecular Weight	180.2269
NSC Number	717525
SMILES	CC1=C(SC=2NC=NC(C21)=O)C
Synonyms	5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 18593-44-7, 5,6-Dimethyl-3H-thieno[2,3-d]pyrimidin-4-one, 5,6-dimethylthieno[2,3-d]pyrimidin-4-ol, CHEMBL2029510, 5,6-dimethyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, Timtec-Bb Sbb009541, 4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidine, 5,6-dimethyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one, NSC717525, AC1L8KNZ, AC1Q2E91, SCHEMBL6004291, CTK4D9105, CTK6C5854, DTXSID60328030, QAFMGDDXMIKGEY-UHFFFAOYSA-N, HMS1782B08, ALBB-019839, ZINC8826716, ANW-64490, BBL007783, BDBM50384061, MFCD00463622, SBB009541, STK279676, STK741257, AKOS000264990, AKOS000276335, FS-1491, MCULE-6210596022, NSC-717525, AC-28075, AJ-59288, AK103776, BAS 00122206, ST059935, ST081058, 5,6-dimethylthieno[2,3-d]pyrimidin-4-one, DB-065547, EU-0051251, FT-0726792, Z2933, 5,6-dimethylthiopheno[2,3-d]pyrimidin-4-ol, EN300-04275, K-5598, thieno[2,3-d]pyrimidin-4-ol, 5,6-dimethyl-, thieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-, Z56887663, F0745-0903, F0906-0955, A1033/0048404, A1540/0066976, 5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one, AldrichCPR, C8H8N2OS, CID403053, 4-(4-TERT-BUTYLPHENYL)-5-ISOXAZOLAMINE, 5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 97% - 1G 1g,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.225g/mol
Monoisotopic Mass	180.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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