1,3-Dithiolane - ≥97% , CAS No.4829-04-3

CAS: 4829-04-3 Cat. No.: D469264 Fórmula: C₃H₆S₂ Peso molecular: 106.21 PubChem CID: 20970

GRADE & PURITY ≥97%

Synonyms

341G58G6YL | CHEBI:38079 | 1,3-DITHIOLANE | MFCD00041425 | 1,3-Dithiolane, 97% | InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H | DTXSID90197473 | UNII-341G58G6YL | NSC 193357 | NSC193357 | NSC-193357 | Q27117371 | 1,3-Dithiacyclopentane | Dithiolane | AKOS025293915 |

Storage

Room temperature

Visão geral

1,3-Dithiolane ,a sulfur containing heterocyclic building block, is a cyclic thioether. Fragmentation modes of 1,3-oxathiolane under electron-impact have been investigated.

Specifications

Sinónimos

341G58G6YL | CHEBI:38079 | 1,3-DITHIOLANE | MFCD00041425 | 1,3-Dithiolane, 97% | InChI=1/C3H6S2/c1-2-5-3-4-1/h1-3H | DTXSID90197473 | UNII-341G58G6YL | NSC 193357 | NSC193357 | NSC-193357 | Q27117371 | 1,3-Dithiacyclopentane | Dithiolane | AKOS025293915 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: C1CSCS1
• IUPAC Name: 1,3-dithiolane
• InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N
• INCHI: 1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
• SMILES isoméricas: C1CSCS1
• PubChem CID: 20970
• Peso molecular: 106.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dithiolanes
      • Subclass 1,3-dithiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dithiolanes
• Subclass: 1,3-dithiolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dithiolanes
• Alternative Parents: Dithioacetals Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3-dithiolane - Thioacetal - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-dithiolanes. These are organic compounds containing a 1,3-dithiolane ring. 1,3-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 3- ring positions.
• External Descriptors: dithiolane

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

Propriedades químicas e físicas

• Índice de refração: n20/D 1.599 (lit.)
• Ponto de inflamação (°F): 154.4 °F - closed cup
• Ponto de inflamação (°C): 68 °C - closed cup
• Ponto de ebulição (°C): 183℃ (lit.)
• Peso molecular: 106.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 105.991 Da
• Monoisotopic Mass: 105.991 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.100
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4829-04-3, the molecular formula is C3H6S2, and the molecular weight is 106.21 g/mol. InChIKey IMLSAISZLJGWPP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.