(3S)-3-iodooxolane - ≥97% , CAS No.918439-76-6

CAS: 918439-76-6 Cat. No.: S178221 Summenformel: C₄H₇IO Molekulargewicht: 198.003

GRADE & PURITY ≥97%

Synonyms

MFCD17015958 | C4H7IO | AKOS025290802 | SCHEMBL470814 | DTXSID50680194 | BKIQORJIKOPRCG-BYPYZUCNSA-N | (S)-3-Iodotetrahydrofuran | (S)-3-IODO-TETRAHYDROFURAN | (3S)-3-IODOOXOLANE | AS-33577 | (3S)-3-iodotetrahydrofuran

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD17015958 | C4H7IO | AKOS025290802 | SCHEMBL470814 | DTXSID50680194 | BKIQORJIKOPRCG-BYPYZUCNSA-N | (S)-3-Iodotetrahydrofuran | (S)-3-IODO-TETRAHYDROFURAN | (3S)-3-IODOOXOLANE | AS-33577 | (3S)-3-iodotetrahydrofuran

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1COCC1I
• IUPAC Name: (3S)-3-iodooxolane
• InChIKey: BKIQORJIKOPRCG-BYPYZUCNSA-N
• INCHI: 1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2/t4-/m0/s1
• Isomere SMILES: C1COC[C@H]1I
• Molekulargewicht: 198.003
• Reaxy-Rn: 4949594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4949594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 198.000 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 197.954 Da
• Monoisotopic Mass: 197.954 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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