Dithieno[3,2-b:2',3'-d]thiophene-2-boronic Acid (Contains varying amounts of anhydride) - ≥97% , CAS No.183960-95-4

CAS: 183960-95-4 Cat. No.: D350835 Molecular Weight: 240.12 EC Number: 679-852-6

GRADE & PURITY ≥97%

Synonyms

Dithieno[3,2-b:2',3'-d]thiophen-2-ylboronic acid | D3823 | DTXSID20659817 | SCHEMBL2502613 | Dithieno[3,2-b:2',3'-d]thiophene-2-boronic Acid, (contains varying amounts of Anhydride) | Dithieno[3,2-b:2',3'-d]thiophen-2-ylboronicacid | dithieno[3,2-b:2',3'-

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Dithieno[3, 2-b:2', 3'-d]thiophen-2-ylboronic acid | D3823 | DTXSID20659817 | SCHEMBL2502613 | Dithieno[3, 2-b:2', 3'-d]thiophene-2-boronic Acid, (contains varying amounts of Anhydride) | Dithieno[3, 2-b:2', 3'-d]thiophen-2-ylboronicacid | dithieno[3, 2-b:2', 3'-

Specifications & Purity

≥97%

Storage

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CC2=C(S1)C3=C(S2)C=CS3)(O)O
• IUPAC Name: 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylboronic acid
• InChIKey: NCQLXXAFCGRZLW-UHFFFAOYSA-N
• INCHI: 1S/C8H5BO2S3/c10-9(11)6-3-5-8(14-6)7-4(13-5)1-2-12-7/h1-3,10-11H
• Isomeric SMILES: B(C1=CC2=C(S1)C3=C(S2)C=CS3)(O)O
• Molecular Weight: 240.12
• Reaxy-Rn: 7207861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7207861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiophenes
• Alternative Parents: 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiophene - 2,3,5-trisubstituted thiophene - Heteroaromatic compound - Thiophene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienothiophenes. These are organic compounds containing two thiophene rings fused to each other.
• 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive ；Moisture sensitive
• Molecular Weight: 240.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 239.954 Da
• Monoisotopic Mass: 239.954 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 241.000
• 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

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