(S)-Sulforaphane - ≥98% , CAS No.155320-20-0

CAS: 155320-20-0 Cat. No.: S274989 Summenformel: C₆H₁₁NOS₂ Molekulargewicht: 177.29

GRADE & PURITY ≥98%

Synonyms

7J94TPZ10L | CHEBI:47809 | Sulforaphane, (S)- | Q27120805 | Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (S)- | 1-isothiocyanato-4-[(S)-methylsulfinyl]butane | J-009186 | D-sulforaphane | (S)-sulforaphane | UNII-7J94TPZ10L | 4-isothiocyanatobutyl methyl

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.

Specifications

Synonyme

7J94TPZ10L | CHEBI:47809 | Sulforaphane, (S)- | Q27120805 | Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (S)- | 1-isothiocyanato-4-[(S)-methylsulfinyl]butane | J-009186 | D-sulforaphane | (S)-sulforaphane | UNII-7J94TPZ10L | 4-isothiocyanatobutyl methyl

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Non-competitive antagonist of the aryl hydrocarbon receptor. Natural isothiocyanate. Antitumor agent. Active in vivo and in vitro .

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

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CS(=O)CCCCN=C=S
• IUPAC Name: 1-isothiocyanato-4-[(S)-methylsulfinyl]butane
• InChIKey: SUVMJBTUFCVSAD-JTQLQIEISA-N
• INCHI: 1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1
• Isomere SMILES: C[S@](=O)CCCCN=C=S
• Molekulargewicht: 177.29
• Reaxy-Rn: 1723237
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Sulfoxides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Sulfoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfoxides
• Alternative Parents: Isothiocyanates Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfoxide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl 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 sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).
• External Descriptors: sulforaphane

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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, in ethanol and in DMSO
• Molekulargewicht: 177.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 177.028 Da
• Monoisotopic Mass: 177.028 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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