3-Methylsulfolane - ≥98% , CAS No.872-93-5

CAS: 872-93-5 Cat. No.: M158451 Formula: C₅H₁₀O₂S Peso molecolare: 134.19 Beilstein Registry Number: 17(5)1,82 Numero EC: 212-833-9

GRADE & PURITY ≥98%

Synonyms

3-Methyltetrahydrothiophene 1,1-Dioxide

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-Methyltetrahydrothiophene 1,1-Dioxide

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488185682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185682
• Sorrisi canonici: CC1CCS(=O)(=O)C1
• IUPAC Name: 3-methylthiolane 1,1-dioxide
• InChIKey: CMJLMPKFQPJDKP-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3
• Isomeri SMILES: CC1CCS(=O)(=O)C1
• Peso molecolare: 134.19
• Beilstein: 17(5)1,82
• Reaxy-Rn: 108420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiolanes
• Alternative Parents: Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiolane - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.47
• Punto di ebollizione (°C): 104°C/3mmHg(lit.)
• Peso molecolare: 134.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.04 Da
• Monoisotopic Mass: 134.04 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 872-93-5, the molecular formula is C5H10O2S, and the molecular weight is 134.19 g/mol. InChIKey CMJLMPKFQPJDKP-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.