AG00I8DO

439948-91-1 | 1,2,3-Oxathiazolidine-3-carboxylic acid, 4-methyl-, 1,1-dimethylethylester, 2,2-dioxide, (4S)-

AG00I8DO

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CAS Number	439948-91-1
Catalog Number	AG00I8DO(AGN-PC-0RS5MI)
Chemical Name	1,2,3-Oxathiazolidine-3-carboxylic acid, 4-methyl-, 1,1-dimethylethylester, 2,2-dioxide, (4S)-
IUPAC Name	tert-butyl (4S)-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate
InChI	InChI=1S/C8H15NO5S/c1-6-5-13-15(11,12)9(6)7(10)14-8(2,3)4/h6H,5H2,1-4H3/t6-/m0/s1
InChI Key	NFAKQWFVEAEEPG-LURJTMIESA-N
MDL Number	MFCD28122917
Molecular Formula	C8H15NO5S
Molecular Weight	237.2734
SMILES	O=C(N1S(OC[C@@H]1C)(=O)=O)OC(C)(C)C
Synonyms	439948-91-1, tert-butyl (4S)-4-methyl-2,2-dioxo-1,2,3-oxathiazolidine-3-carboxylate, (4S)-2,2-Dioxido-4-methyl-1,2,3-oxathiazolidine, n-boc protected, (S)-4-Methyl-2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester, SCHEMBL1436005, (S)-tert-Butyl 4-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, NFAKQWFVEAEEPG-LURJTMIESA-N, KS-000007JK, MFCD28122917, ZINC34591964, AKOS027338356, FCH3528819, OR41174, SB18566, AS-52176, CS-0048512, (4S)-2,2-Dioxido-4-methyl-N-boc-1,2,3-oxathiazolidine, (S)-4-Methyl-2,2-dioxo-oxathiazolidine-3-carboxylic acid tert-butyl ester, 3-(tert-Butyloxycarbonyl)-4beta-methyl-1,2,3-oxathiazolidine 2,2-dioxide, tert-Butyl (S)-4-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, (S)-4-methyl-2,2-dioxo-[1,2,3] oxathiazolidine-3-carboxylic acid tert-butyl ester, 1,2,3-Oxathiazolidine-3-carboxylic acid, 4-methyl-, 1,1-dimethylethylester, 2,2-dioxide, (4S)-, CID10988294, (R)-3-Boc-4-methyl-2,2-dioxo-[1,2,3]oxathiazolidine, (R)-tert-Butyl 4-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, 454248-53-4, Tert-butyl (4S)-4-methyl-2,2-dioxo-oxathiazolidine-3-carboxylate,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	237.067g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.27g/mol
Monoisotopic Mass	237.067g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code	\N

Certificate of Analysis

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