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2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane - 95%, high purity , CAS No.55704-78-4

COA

Grade & Purity:

≥95%

Cas Number: 55704-78-4
Molecular Weight: 180.29
EC Number: 259-770-3
MDL number: MFCD00010121
PubChem CID: 62105
PubChem SID: 488183551

In stock

Item Number

D102758

Grouped product items
SKU	Size	Availability	Price
D102758-1g	1g	1	$9.90
D102758-5g	5g	2	$25.90
D102758-25g	25g	3	$115.90
D102758-100g	100g	5	$415.90
D102758-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,869.90

View related series

Dithiane (8) Sulfur containing compounds (986)

Basic Description

Synonyms	DTXCID1027683 \| CAS-55704-78-4 \| AS-30449 \| P-DITHIANE-,2,5-DIOL, 2,5-DIMETHYL- \| 2,5-DIMETHYL-2,5-DIHYDROXY-1,4-DITHIANE, (+/-)- \| 2,5-DIMETHYL-[1,4]DITHIANE-2,5-DIOL \| 2,5-Dimethyl-2,5-dioxy-1,4-dithian \| FT-0610432 \| 2,5-Dimethyl-2,5-dihydroxy-p-dithia
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal

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

Pubchem Sid	488183551
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183551
IUPAC Name	2,5-dimethyl-1,4-dithiane-2,5-diol
INCHI	InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
InChIKey	NHKIYYMFGJBOTK-UHFFFAOYSA-N
Smiles	CC1(CSC(CS1)(C)O)O
Isomeric SMILES	CC1(CSC(CS1)(C)O)O
WGK Germany	3
Molecular Weight	180.29
Reaxy-Rn	105805
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105805&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.

11 results found

Lot Number	Certificate Type	Date	Item
E2329053	Certificate of Analysis	Apr 15, 2023	D102758
E2329061	Certificate of Analysis	Apr 15, 2023	D102758
E2329066	Certificate of Analysis	Apr 15, 2023	D102758
E2329055	Certificate of Analysis	Apr 15, 2023	D102758
E2329062	Certificate of Analysis	Apr 15, 2023	D102758
E2329071	Certificate of Analysis	Apr 15, 2023	D102758
E2329054	Certificate of Analysis	Apr 15, 2023	D102758
E2329065	Certificate of Analysis	Apr 15, 2023	D102758
E2329059	Certificate of Analysis	Apr 15, 2023	D102758
C2328276	Certificate of Analysis	Mar 20, 2023	D102758
C2328275	Certificate of Analysis	Mar 20, 2023	D102758

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	light & Moisture sensitive
Melt Point(°C)	124-127°C
Molecular Weight	180.300 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	180.028 Da
Monoisotopic Mass	180.028 Da
Topological Polar Surface Area	91.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126.000
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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