AG003MER

59488-81-2 | 5-Aminothieno[2,3-d]pyrimidine-6-carboxylic acid

AG003MER

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CAS Number	59488-81-2
Catalog Number	AG003MER(AGN-PC-0782KS)
Chemical Name	5-Aminothieno[2,3-d]pyrimidine-6-carboxylic acid
IUPAC Name	5-aminothieno[2,3-d]pyrimidine-6-carboxylic acid
InChI	InChI=1S/C7H5N3O2S/c8-4-3-1-9-2-10-6(3)13-5(4)7(11)12/h1-2H,8H2,(H,11,12)
InChI Key	OZOUSKZJDUDQDW-UHFFFAOYSA-N
MDL Number	MFCD20230233
Molecular Formula	C7H5N3O2S
Molecular Weight	195.1985
SMILES	NC1C2=C(N=CN=C2)SC=1C(O)=O
Synonyms	5-Aminothieno[2,3-d]pyrimidine-6-carboxylic acid, 59488-81-2, 5-AMINOTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLICACID, CTK7J1430, KS-00000CUI, DTXSID30659989, 6327AJ, FCH869133, MFCD09701987, ZINC35269739, AKOS006331102, QC-5898, TRA0059758, AS-31870, SY021773, AB0065736, TR-039480, 5-aminothieno[2,3-d]pyrimidine-6-carboxylic, Z-4639, MFCD09701987 (95+%), C7H5N3O2S,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.196g/mol
Monoisotopic Mass	195.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number