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Diisoamyl disulfide - ≥98%, high purity , CAS No.2051-04-9

COA

Grade & Purity:

≥98%

Cas Number: 2051-04-9
Molecular Weight: 206.41
Beilstein Registry Number: 1(4)1689
MDL number: MFCD00026520
PubChem CID: 74915
PubChem SID: 488184999

In stock

Item Number

D464848

Grouped product items
SKU	Size	Availability	Price
D464848-25g	25g	3	$200.90
D464848-100g	100g	5	$567.90
D464848-250g	250g	3	$1,200.90

Basic Description

Synonyms	1-(Isopentyldisulfanyl)-3-methylbutane \| 1-(isopentyldisulfanyl)-3-methyl-butane \| EINECS 218-113-0 \| SCHEMBL2124275 \| 1-(Isopentyldisulfanyl)-3-methylbutane # \| FEMA NO. 4575 \| MFCD00026520 \| A814622 \| Diisopentyl disulphide \| Mefenorex hydrochloride [US
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Organic disulfides
    - Subclass Dialkyldisulfides

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Organic disulfides
Subclass	Dialkyldisulfides
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyldisulfides
Alternative Parents	Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyldisulfide - Sulfenyl compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488184999
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184999
IUPAC Name	3-methyl-1-(3-methylbutyldisulfanyl)butane
INCHI	InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey	MPYGLNNTOXLWOB-UHFFFAOYSA-N
Smiles	CC(C)CCSSCCC(C)C
Isomeric SMILES	CC(C)CCSSCCC(C)C
Molecular Weight	206.41
Beilstein	1(4)1689
Reaxy-Rn	1737960
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737960&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.

4 results found

Lot Number	Certificate Type	Date	Item
C2311040	Certificate of Analysis	Jan 13, 2023	D464848
C2311102	Certificate of Analysis	Jan 13, 2023	D464848
C2311038	Certificate of Analysis	Jan 13, 2023	D464848
C2311042	Certificate of Analysis	Jan 13, 2023	D464848

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	81 °C
Boil Point(°C)	248°C(lit.)
Molecular Weight	206.400 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	206.116 Da
Monoisotopic Mass	206.116 Da
Topological Polar Surface Area	50.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	77.800
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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