Cheirolin - ≥97% , CAS No.505-34-0

CAS: 505-34-0 Cat. No.: C274743 Formule: C₅H₉NO₂S₂ Poids moléculaire: 179.26

QUALITÉ & PURETÉ ≥97%

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

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Potent Nrf2 inducer. Sulfonyl analogue. Increases heme oxygenase 1 and γ-glutamylcysteine synthetase mRNA and protein levels with similar potency to Iberverin Iberin .

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

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.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504751955

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751955

Sourires canoniques

CS(=O)(=O)CCCN=C=S

IUPAC Name

1-isothiocyanato-3-methylsulfonylpropane

InChIKey

ZSJGCHNCYSHQEU-UHFFFAOYSA-N

INCHI

1S/C5H9NO2S2/c1-10(7,8)4-2-3-6-5-9/h2-4H2,1H3

Isomères SMILES

CS(=O)(=O)CCCN=C=S

Poids moléculaire

179.26

Reaxy-Rn

1768925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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

Data sources

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

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol
• Point d'éclair (°C): 183.8ºC
• Point d'ébullition (°C): 380.3ºC at 760mmHg
• Poids moléculaire: 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 Ų
• 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