AG003QFX

1346597-50-9 | 4-tert-Butyl 2-ethyl thiomorpholine-2,4-dicarboxylate

AG003QFX

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CAS Number	1346597-50-9
Catalog Number	AG003QFX(AGN-PC-0WAD9G)
Chemical Name	4-tert-Butyl 2-ethyl thiomorpholine-2,4-dicarboxylate
IUPAC Name	4-O-tert-butyl 2-O-ethyl thiomorpholine-2,4-dicarboxylate
InChI	InChI=1S/C12H21NO4S/c1-5-16-10(14)9-8-13(6-7-18-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key	AULIHHKCGONFAV-UHFFFAOYSA-N
MDL Number	MFCD20134213
Molecular Formula	C12H21NO4S
Molecular Weight	275.3644
SMILES	O=C(C1CN(C(OC(C)(C)C)=O)CCS1)OCC
Synonyms	Ethyl N-Boc-2-thiomorpholinecarboxylate, 1346597-50-9, 4-tert-Butyl 2-ethyl thiomorpholine-2,4-dicarboxylate, KS-00000AJB, 6812AJ, MFCD20134213, AKOS022183189, EthylN-Boc-2-thiomorpholinecarboxylate, TRA0047632, AS-31966, SY016105, AX8268640, DB-020181, TC-308325, FT-0735934, K-4260, MFCD20134213 (95+%), C12H21NO4S, 626-34-6,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.119g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.363g/mol
Monoisotopic Mass	275.119g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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