Cheirolin - ≥97% , CAS No.505-34-0

CAS: 505-34-0 Cat. No.: C274743 Summenformel: C₅H₉NO₂S₂ Molekulargewicht: 179.26

QUALITÄT & REINHEIT ≥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

Übersicht

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Hinweis

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.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504751955

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol
• Flammpunkt (°C): 183.8ºC
• Siedepunkt (°C): 380.3ºC at 760mmHg
• Molekulargewicht: 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