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3-Bromothietane 1,1-dioxide - 95%, high purity , CAS No.59463-72-8

COA

Grade & Purity:

≥95%

Cas Number: 59463-72-8
Molecular Weight: 185
PubChem CID: 302539

In stock

Item Number

B185448

Grouped product items
SKU	Size	Availability	Price	Qty
B185448-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$318.90
B185448-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$795.90

Basic Description

Synonyms	3-bromothietane 1,1-dioxide \| 59463-72-8 \| 1,1-DIOXIDE-3-BROMOTHIETANE \| MFCD11870754 \| Thietane, 3-bromo-, 1,1-dioxide \| 3-bromothietane1,1-dioxide \| NSC187745 \| 3-bromo-thietane 1,1-dioxide \| SCHEMBL1770949 \| DTXSID90307111 \| XSEKMFLQQOEVTJ-UHFFFAOYSA-N \| 3-bromo-1 \| E?-thieta
Specifications & Purity	≥95%
Shipped In	Normal

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 Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Sulfone - Thietane - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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	3-bromothietane 1,1-dioxide
INCHI	InChI=1S/C3H5BrO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
InChIKey	XSEKMFLQQOEVTJ-UHFFFAOYSA-N
Smiles	C1C(CS1(=O)=O)Br
Isomeric SMILES	C1C(CS1(=O)=O)Br
Molecular Weight	185
Reaxy-Rn	1363432
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363432&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	185.040 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	183.919 Da
Monoisotopic Mass	183.919 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	142.000
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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