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2-Methyl-1,3-dithiane - 99%, high purity , CAS No.6007-26-7

COA

Grade & Purity:

≥99%

Cas Number: 6007-26-7
Molecular Weight: 134.26
Beilstein Registry Number: 102766
MDL number: MFCD00014652
PubChem CID: 22329
PubChem SID: 488182756

In stock

Item Number

M171134

Grouped product items
SKU	Size	Availability	Price
M171134-1ml	1ml	3	$28.90
M171134-5ml	5ml	3	$110.90
M171134-25ml	25ml	4	$495.90

Basic Description

Synonyms	2-Methyl-1,3-dithiane \| 5-19-01-00053 (Beilstein Handbook Reference) \| 1,3-Dithiane, 2-methyl- \| 2-methyl-1,3-dithian \| AKOS005255381 \| BRN 0102766 \| Methyl-2 dithiane-1,3 [French] \| NSC 249337 \| U6KUZ3F2ZW \| AMY24701 \| Methyl-2 dithiane-1,3 \| MFCD0001465
Specifications & Purity	≥99%
Storage Temp	Room temperature
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	Dithioacetals Dialkylthioethers Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3-dithiane - Thioacetal - 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	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	488182756
IUPAC Name	2-methyl-1,3-dithiane
INCHI	InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKey	KXROTPXCYDXGSC-UHFFFAOYSA-N
Smiles	CC1SCCCS1
Isomeric SMILES	CC1SCCCS1
WGK Germany	3
RTECS	JO5263000
Molecular Weight	134.26
Beilstein	102766
Reaxy-Rn	102766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102766&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
G2228285	Certificate of Analysis	Aug 02, 2022	M171134
G2228457	Certificate of Analysis	Aug 02, 2022	M171134
G2228282	Certificate of Analysis	Aug 02, 2022	M171134

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix in water. Soluble in alcohol.
Flash Point(°F)	167 °F
Flash Point(°C)	75 °C
Boil Point(°C)	56-59°C/3mmHg
Molecular Weight	134.300 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	134.022 Da
Monoisotopic Mass	134.022 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48.000
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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