Oxolan-2-ylmethanesulfonyl chloride - ≥95% , CAS No.338453-29-5

CAS: 338453-29-5 Cat. No.: O1054554 Molecular Weight: 184.640 EC Number: 832-409-2

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(OC1)CS(=O)(=O)Cl
• IUPAC Name: oxolan-2-ylmethanesulfonyl chloride
• InChIKey: OTZGHNVMPIKAEL-UHFFFAOYSA-N
• INCHI: 1S/C5H9ClO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2
• Molecular Weight: 184.640

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxolane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
• 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

• Molecular Weight: 184.640 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.996 Da
• Monoisotopic Mass: 183.996 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 193.000
• 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