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3-Bromo-4-hydroxytetrahydrothiophene 1，1-dioxide - ≥98%, high purity , CAS No.35330-57-5

COA

Grade & Purity:

≥98%

Cas Number: 35330-57-5
Molecular Weight: 215.06
PubChem CID: 289294

In stock

Item Number

B691006

Grouped product items
SKU	Size	Availability	Price	Qty
B691006-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiolanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiolanes
Alternative Parents	Sulfones Secondary alcohols Bromohydrins Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Thiolane - Sulfone - Secondary alcohol - Halohydrin - Bromohydrin - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
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	4-bromo-1,1-dioxothiolan-3-ol
INCHI	InChI=1S/C4H7BrO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2H2
InChIKey	JUROXLRSVVHUOG-UHFFFAOYSA-N
Smiles	C1C(C(CS1(=O)=O)Br)O
Isomeric SMILES	C1C(C(CS1(=O)=O)Br)O
PubChem CID	289294
Molecular Weight	215.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.070 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	213.93 Da
Monoisotopic Mass	213.93 Da
Topological Polar Surface Area	62.800 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	192.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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