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tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate - 97%, high purity , CAS No.1453315-70-2

COA

Grade & Purity:

≥97%

Cas Number: 1453315-70-2
Molecular Weight: 245.34
PubChem CID: 121207725

In stock

Item Number

T629309

Grouped product items
SKU	Size	Availability	Price
T629309-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
T629309-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$271.90
T629309-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$452.90
T629309-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$678.90
T629309-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,396.90

Basic Description

Synonyms	DTXSID501130554 \| 2-Boc-7-hydroxy-5-thia-2-azaspiro[3.4]octane \| tert-butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate \| tert-butyl7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate \| 2-Boc-5-thia-2-azaspiro[3.4]octan-7-ol \| AS-71606 \| CS-0037
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Azetidinecarboxylic acids or derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Azetidinecarboxylic acids
Alternative Parents	Thiolanes Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Azetidinecarboxylic acid - Carbamic acid ester - Thiolane - Secondary alcohol - Carbonic acid derivative - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
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 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
INCHI	InChI=1S/C11H19NO3S/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-16-11/h8,13H,4-7H2,1-3H3
InChIKey	AODXOUPGRJCVQY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2(C1)CC(CS2)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2(C1)CC(CS2)O
Alternate CAS	1453315-70-2
PubChem CID	121207725
Molecular Weight	245.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.340 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	245.109 Da
Monoisotopic Mass	245.109 Da
Topological Polar Surface Area	75.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	294.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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