4,5-エチレンジチオ-1,3-ジチオール-2-オン - ≥98% , CAS No.74962-29-1

CAS: 74962-29-1 Cat. No.: E156234 分子式: C₅H₄OS₄ 分子量: 208.33

GRADE & PURITY ≥98%

Synonyms

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | E0460 | FT-0617219 | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one # | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro- | NMNDMYIFMUGDMA-UHFFFA

Storage

Argon charged,Room temperature

Shipped In

ノーマル

Specifications

同義語

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one | E0460 | FT-0617219 | 5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one # | 1,3-Dithiolo[4,5-b][1,4]dithiin-2-one, 5,6-dihydro- | NMNDMYIFMUGDMA-UHFFFA

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CSC2=C(S1)SC(=O)S2

IUPAC Name

5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one

InChIKey

NMNDMYIFMUGDMA-UHFFFAOYSA-N

INCHI

1S/C5H4OS4/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2

異性体SMILES

C1CSC2=C(S1)SC(=O)S2

分子量

208.33

Reaxy-Rn

3649680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3649680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 分類 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Alkylarylthioethers Heteroaromatic compounds 1,3-dithioles Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Heteroaromatic compound - Dithiole - 1,3-dithiole - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

化学的性質と物理的性質

• 感度: Air sensitive
• 融点（°C）: 129 °C
• 分子量: 208.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 207.914 Da
• Monoisotopic Mass: 207.914 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• 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