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2,5-Dihydroxy-1,4-dithiane - 97%, high purity , CAS No.40018-26-6

COA

Grade & Purity:

≥97%

Cas Number: 40018-26-6
Molecular Weight: 152.24
Beilstein Registry Number: 104402
EC Number: 254-751-6
MDL number: MFCD00006659
PubChem CID: 98330

In stock

Item Number

D103137

Grouped product items
SKU	Size	Availability	Price
D103137-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$18.90
D103137-100g	100g	3	$64.90
D103137-500g	500g	1	$141.90

View related series

Dithiane (8) Sulfur containing compounds (986)

Basic Description

Synonyms	1,4 dithiane-2,5 diol \| Dithian \| EINECS 254-751-6 \| FT-0610379 \| F0001-1126 \| NSC106280 \| NSC-106280 \| 2,5-Dihydroxy-1,4-dithiane \| Mercaptoacetaldehyde dimer \| CHEBI:179581 \| FEMA 3826 \| R4F79F1JB0 \| STL185668 \| J-523875 \| 4-dithiane-2,5-diol \| AMY24076
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1,4-Dithiane-2,5-diol undergoes bifunctional squaramide catalyzed sulfa-Michael/aldol cascade reaction with chalcones to afford trisubstituted tetrahydrothiophenes.It participates in diastereoselective [3+3] cycloaddition with azomethine imines catalyzed by 1,4-diazabicyclo[2.2.2]octane.It is a mercaptoacetaldehyde dimer and an efficient synthon for incorporating a thiol group to in situ generated nitroalkenes. 1,4-Dithiane-2,5-diol was used in the synthesis of: · substituted tetrahydrothiophene derivatives; · 2-amino-3-(arylsulfonyl)thiophenes, potential antiviral and antitumor agents.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dithianes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dithianes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Dithianes
Alternative Parents	Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,4-dithiane - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.
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	1,4-dithiane-2,5-diol
INCHI	InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChIKey	YUIOPHXTILULQC-UHFFFAOYSA-N
Smiles	C1C(SCC(S1)O)O
Isomeric SMILES	C1C(SCC(S1)O)O
WGK Germany	2
UN Number	3335
Molecular Weight	152.24
Beilstein	104402
Reaxy-Rn	104402
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104402&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
C2003150	Certificate of Analysis	Dec 15, 2023	D103137
I1510021	Certificate of Analysis	May 06, 2023	D103137
C2317434	Certificate of Analysis	Mar 22, 2023	D103137

Chemical and Physical Properties

Sensitivity	Light & Moisture Sensitive；heat sensitive
Melt Point(°C)	130°C
Molecular Weight	152.200 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	151.997 Da
Monoisotopic Mass	151.997 Da
Topological Polar Surface Area	91.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.400
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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