1,3-Oxathiolane - ≥95% , CAS No.2094-97-5

CAS: 2094-97-5 Cat. No.: O1026310 Fórmula: C₃H₆OS Peso molecular: 90.150 Número CE: 170-838-0

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1CSCO1

IUPAC Name

1,3-oxathiolane

InChIKey

WJJSZTJGFCFNKI-UHFFFAOYSA-N

INCHI

1S/C3H6OS/c1-2-5-3-4-1/h1-3H2

Peso molecular

90.150

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxathiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxathiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxathiolanes
• Alternative Parents: Monothioacetals Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxathiolane - Monothioacetal - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as oxathiolanes. These are compounds containing an oxathiolane moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, a sulfur atom, and three carbon atoms. Isomers of oxaphospholane include meta-oxathiolane, and ortho-oxathiolane.
• 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

Propriedades químicas e físicas

• Peso molecular: 90.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 90.0139 Da
• Monoisotopic Mass: 90.0139 Da
• Topological Polar Surface Area: 34.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.100
• 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 ≥95% 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 2094-97-5, the molecular formula is C3H6OS, and the molecular weight is 90.150 g/mol. InChIKey WJJSZTJGFCFNKI-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.