AG003QCA

1053656-51-1 | 5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

AG003QCA

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CAS Number	1053656-51-1
Catalog Number	AG003QCA(AGN-PC-07CT0M)
Chemical Name	5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
IUPAC Name	5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
InChI	InChI=1S/C14H20N2O4S/c1-5-19-12(17)11-15-9-6-7-16(8-10(9)21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3
InChI Key	ZCUHIQJCEMMTLK-UHFFFAOYSA-N
MDL Number	MFCD11109462
Molecular Formula	C14H20N2O4S
Molecular Weight	312.3846
SMILES	O=C(C(S1)=NC2=C1CN(C(OC(C)(C)C)=O)CC2)OCC
Synonyms	1053656-51-1, 5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE, Ethyl 5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate, MFCD11109462, 5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo-[5,4-c]pyridine-2,5(4H)-dicarboxylate, PubChem15958, SCHEMBL978537, CTK8C6788, KS-00000BEH, DTXSID00670505, BCP14938, ZINC35269873, AKOS015854295, TRA0061775, AC-29522, AJ-90923, AK-27573, AN-25914, CJ-18657, SY004975, AB1000306, AX8158811, DB-012284, TR-037015, CS-0044451, FT-0649027, ST24044950, Y6630, Z-3884, MFCD11109462 (97+%), 656B511, S14-1549, ethyl 5-boc-4,5,6,7-tetrahydro-1,3-thiazolo[5,4-c]pyridine-2-carboxylate, Ethyl5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate, 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate, 5-tert-butyl 2-ethyl 6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-2,5(4h)-dicarboxylate, 5-tert-butyl2-ethyl6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate, 6,7-Dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylic acid 5-(tert-butyl) 2-ethyl ester, O5-tert-butyl O2-ethyl 6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2,5-dicarboxylate, null, C14H20N2O4S, A1980,

Complexity	410
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.114g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.384g/mol
Monoisotopic Mass	312.114g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	97A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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