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

CAS: 918439-76-6 Cat. No.: S178221 Formula: C₄H₇IO Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C1COC[C@H]1I
• Peso molecolare: 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
    • Classe Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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