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tert-butyl (4S)-4-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazolidine-3-carboxylate - 97%, high purity , CAS No.439948-91-1

COA

Grade & Purity:

≥97%

Cas Number: 439948-91-1
Molecular Weight: 237.273
PubChem CID: 10988294

In stock

Item Number

T176493

Grouped product items
SKU	Size	Availability	Price	Qty
T176493-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
T176493-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90

Discover tert-butyl (4S)-4-methyl-2,2-dioxo-1,2λ⁶,3-oxathiazolidine-3-carboxylate by Aladdin Scientific in 97% for only $62.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	439948-91-1 \| (4S)-2,2-Dioxido-4-methyl-1,2,3-oxathiazolidine, n-boc protected \| tert-butyl (4S)-4-methyl-2,2-dioxo-1,2,3-oxathiazolidine-3-carboxylate \| tert-butyl (4S)-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate \| (S)-4-Methyl-2,2-dioxo-[1,2,3]oxathiazolidi
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfuric acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfuric acids and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic sulfuric acids and derivatives
Alternative Parents	Oxathiazolidines Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,2,3-oxathiazolidine - Organic sulfuric acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
InChIKey	NFAKQWFVEAEEPG-LURJTMIESA-N
Smiles	CC1COS(=O)(=O)N1C(=O)OC(C)(C)C
Isomeric SMILES	C[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
PubChem CID	10988294
Molecular Weight	237.273

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	237.280 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	237.067 Da
Monoisotopic Mass	237.067 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	350.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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