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Cheirolin - ≥97%, high purity , CAS No.505-34-0

COA

Grade & Purity:

≥97%

Cas Number: 505-34-0
Molecular Weight: 179.26
PubChem CID: 10454
PubChem SID: 504751955

In stock

Item Number

C274743

Grouped product items
SKU	Size	Availability	Price
C274743-5mg	5mg	2	$46.90
C274743-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$180.90
C274743-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$299.90

Potent Nrf2 inducer

Basic Description

Synonyms	3-(Methylsulphonyl)propylisothiocyanate \| HY-117107 \| 3-Methylsulfonylpropyl-isothiocyanat \| DTXSID00198517 \| CHEIROLIN [MI] \| 1-Isothiocyanato-3-(methylsulfonyl)propane \| 1-Isothiocyanato-3-(methylsulfonyl)-propane \| ISOTHIOCYANIC ACID, 3-(METHYLSULFONYL
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	Potent Nrf2 inducer. Sulfonyl analogue. Increases heme oxygenase 1 and γ-glutamylcysteine synthetase mRNA and protein levels with similar potency to Iberverin Iberin .
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Sulfonyls
    - Subclass Sulfones

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Sulfonyls
Subclass	Sulfones
Intermediate Tree Nodes	Not available
Direct Parent	Sulfones
Alternative Parents	Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfone - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
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	504751955
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751955
IUPAC Name	1-isothiocyanato-3-methylsulfonylpropane
INCHI	InChI=1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3
InChIKey	ZSJGCHNCYSHQEU-UHFFFAOYSA-N
Smiles	CS(=O)(=O)CCCN=C=S
Isomeric SMILES	CS(=O)(=O)CCCN=C=S
Molecular Weight	179.26
Reaxy-Rn	1768925
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768925&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
I2202502	Certificate of Analysis	Jun 13, 2023	C274743
I2202302	Certificate of Analysis	Jun 12, 2023	C274743
I2202247	Certificate of Analysis	Jun 12, 2023	C274743

Chemical and Physical Properties

Solubility	Soluble in ethanol
Flash Point(°C)	183.8ºC
Boil Point(°C)	380.3ºC at 760mmHg
Molecular Weight	179.300 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	179.007 Da
Monoisotopic Mass	179.007 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	221.000
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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