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1,4-Dithiane - ≥97%, high purity , CAS No.505-29-3

COA

Grade & Purity:

≥97%

Cas Number: 505-29-3
Molecular Weight: 120.24
EC Number: 208-007-2
MDL number: MFCD00006658
PubChem CID: 10452
PubChem SID: 504751953

In stock

Item Number

D140294

Grouped product items
SKU	Size	Availability	Price
D140294-1g	1g	2	$32.90
D140294-5g	5g	2	$125.90
D140294-25g	25g	2	$564.90

Basic Description

Synonyms	1,4-DITHIANE \| 505-29-3 \| p-Dithiane \| 1,4-Dithiacyclohexane \| Diethylene disulfide \| p-Dithane \| p-Dithiin, tetrahydro- \| para-Dithiane \| 1,4-Dithiin, tetrahydro- \| 1,4-dithian \| [1,4]dithiane \| tetrahydro-1,4-dithiin \| CHEBI:540 \| DTXSID3024077 \| NSC-24178 \| 3274B1T5A0 \| CCRIS 3240 \| HS
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Dialkylthioethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,4-dithiane - Dialkylthioether - Thioether - Hydrocarbon derivative - 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	dithiane
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	504751953
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751953
IUPAC Name	1,4-dithiane
INCHI	InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
InChIKey	LOZWAPSEEHRYPG-UHFFFAOYSA-N
Smiles	C1CSCCS1
Isomeric SMILES	C1CSCCS1
WGK Germany	2
RTECS	JO5069000
Molecular Weight	120.24
Reaxy-Rn	102553
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102553&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
D1912154	Certificate of Analysis	Feb 07, 2023	D140294
H2203284	Certificate of Analysis	Jun 04, 2022	D140294
H2203322	Certificate of Analysis	Jun 04, 2022	D140294

Chemical and Physical Properties

Boil Point(°C)	200°C
Melt Point(°C)	107-113°C
Molecular Weight	120.200 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	120.007 Da
Monoisotopic Mass	120.007 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	26.500
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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