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Thietane-3-carboxylic acid 1，1-dioxide - ≥95%, high purity , CAS No.13129-21-0

COA

Grade & Purity:

≥95%

Cas Number: 13129-21-0
Molecular Weight: 150.16
PubChem CID: 24864054

In stock

Item Number

T731439

Grouped product items
SKU	Size	Availability	Price
T731439-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$529.90
T731439-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$847.90
T731439-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,120.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Sulfonyls
    - Subclass Sulfones

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Sulfonyls
Subclass	Sulfones
Intermediate Tree Nodes	Not available
Direct Parent	Sulfones
Alternative Parents	Thietanes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Sulfone - Thietane - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
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	1,1-dioxothietane-3-carboxylic acid
INCHI	InChI=1S/C4H6O4S/c5-4(6)3-1-9(7,8)2-3/h3H,1-2H2,(H,5,6)
InChIKey	YRWVDUXZQYVBJF-UHFFFAOYSA-N
Smiles	C1C(CS1(=O)=O)C(=O)O
Isomeric SMILES	C1C(CS1(=O)=O)C(=O)O
PubChem CID	24864054
Molecular Weight	150.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	150.160 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	149.999 Da
Monoisotopic Mass	149.999 Da
Topological Polar Surface Area	79.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	209.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Thietane-3-carboxylic acid 1，1-dioxide - ≥95%, high purity , CAS No.13129-21-0

Basic Description