Tropodithietic acid - ≥98% , CAS No.750590-18-2

CAS: 750590-18-2 Cat. No.: T274727 Summenformel: C₈H₄O₃S₂ Molekulargewicht: 212.25 EG-Nummer: 806-061-7 PubChem CID: 44632924

QUALITÄT & REINHEIT ≥98%

Synonyms

Tropodithietic acid [TDA]|Tropodithietic acid|3-Oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid

Storage

Protected from light,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.

Source/Host Chemicals： Isolated from Roseobacter gallaeciensis.

Spezifikationen

Synonyme

Tropodithietic acid [TDA] | Tropodithietic acid | 3-Oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Broad spectrum antibiotic agent. Active against Gram-negative and Gram-positive species. Shows antinematodal, antifungal and antitumor effects.

Storage

Protected from light,Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

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

Pubchem Sid

528758489

Kanonisches Lächeln

C1=CC(=O)C(=C2C(=C1)SS2)C(=O)O

IUPAC Name

3-oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid

InChIKey

BLFCMITWMARUSM-UHFFFAOYSA-N

INCHI

1S/C8H4O3S2/c9-4-2-1-3-5-7(13-12-5)6(4)8(10)11/h1-3H,(H,10,11)

Isomere SMILES

C1=CC(=O)C(=C2C(=C1)SS2)C(=O)O

PubChem CID

44632924

Molekulargewicht

212.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Klasse Tropones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Klasse: Tropones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropones
• Alternative Parents: Heteroaromatic compounds Cyclic ketones Carboxylic acids Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tropone - Heteroaromatic compound - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
• 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 DMSO
• Empfindlichkeit: Light & Moisture sensitive
• Molekulargewicht: 212.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 211.96 Da
• Monoisotopic Mass: 211.96 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 390.000
• 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