Anethole trithione - ≥95% , CAS No.532-11-6

CAS: 532-11-6 Cat. No.: A185022 Formule: C₁₀H₈OS₃ Poids moléculaire: 240.4 Numéro CE: 208-528-5

GRADE & PURITY ≥95%

Synonyms

5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione | Heporal | Sulfogal | Anethol Trithione,(S) | MLS004774038 | W-105762 | 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)- | 3H-1,2-DITHIOLE-3-THIONE, 5-(p-METHOXYPHENYL)- | 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-t

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione | Heporal | Sulfogal | Anethol Trithione,(S) | MLS004774038 | W-105762 | 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)- | 3H-1,2-DITHIOLE-3-THIONE, 5-(p-METHOXYPHENYL)- | 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-t

Spécifications et pureté

≥95%

Mécanismes biochimiques et physiologiques

Agent antitumoral. Analogue de l'oltipraz. Réduit l'homocystéine et augmente les niveaux de glutathion dans les tissus. Favorise la sécrétion de bile, montre des effets hépatoprotecteurs et antitumoraux in vivo. Actif par voie orale.

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Type d'action

AGONIST

Note

Dans la mesure du possible, les solutions doivent être préparées et utilisées le même jour. Toutefois, si vous devez préparer des solutions de base à l'avance, nous vous recommandons de les conserver sous forme d'aliquotes dans des flacons hermétiques à -20°C. Ces aliquotes sont généralement utilisables pendant un mois. En général, ces solutions peuvent être utilisées pendant un mois. Avant utilisation, et avant d'ouvrir le flacon, nous vous recommandons de laisser votre produit s'équilibrer à température ambiante pendant au moins 1 heure. Besoin de plus de conseils sur la solubilité, l'utilisation et la manipulation ? Veuillez consulter notre page de questions fréquemment posées (FAQ) pour plus de détails.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504750538
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750538
• Sourires canoniques: COC1=CC=C(C=C1)C2=CC(=S)SS2
• IUPAC Name: 5-(4-methoxyphenyl)dithiole-3-thione
• InChIKey: KYLIZBIRMBGUOP-UHFFFAOYSA-N
• INCHI: 1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
• Isomères SMILES: COC1=CC=C(C=C1)C2=CC(=S)SS2
• Poids moléculaire: 240.4
• Reaxy-Rn: 158393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,2-dithiole-3-thiones Heteroaromatic compounds Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-dithiole-3-thione - Heteroaromatic compound - 1,2-dithiole - Dithiole - Ether - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Chloroform
• Sensibilité: heat sensitive
• Point de fusion (°C): 110 °C
• Poids moléculaire: 240.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.974 Da
• Monoisotopic Mass: 239.974 Da
• Topological Polar Surface Area: 91.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 254.000
• 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

Références

1. Tiandong Chen, Chenyi Zhang, Huiting Xu, Yakun Wang, Yanxiao Zhao, Chenxin Lu, Fang Yang.  (2025)  Ultrasound-Manipulated Nanoplatform with Stable Hydrophobic Reservoirs for Spatiotemporal Controlled Renal Delivery of Therapeutic Gases.  Small,      [PMID:41259587] [10.1002/smll.202509186]