Cheirolin - ≥97% , CAS No.505-34-0

CAS: 505-34-0 Cat. No.: C274743 Peso molecular: 179.26

GRADE & PURITY ≥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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

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.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504751955
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751955
• Sonrisas canónicas: 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
• Isómeros SMILES: CS(=O)(=O)CCCN=C=S
• Peso molecular: 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
    • Clase Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol
• Punto de inflamación (°C): 183.8ºC
• Punto de ebullición (°C): 380.3ºC at 760mmHg
• Peso molecular: 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