(+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine - ≥98% , CAS No.127184-05-8

CAS: 127184-05-8 Cat. No.: A586885 Molecular Weight: 298.19 Beilstein Registry Number: 3653352

GRADE & PURITY ≥98%

Synonyms

(4aS,7S,8aR)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothiazole 3,3-dioxide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(4aS, 7S, 8aR)-8, 8-Dichloro-9, 9-dimethyltetrahydro-4H-4a, 7-methanobenzo[c][1, 2]oxazireno[2, 3-b]isothiazole 3, 3-dioxide

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(C2CCC13CS(=O)(=O)N4C3(C2(Cl)Cl)O4)C
• IUPAC Name: (1S,6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane 3,3-dioxide
• InChIKey: HAMBQYFZDBYWHU-CNLAJYNUSA-N
• INCHI: 1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8-,10+,13?/m0/s1
• Isomeric SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N4[C@@]3(C2(Cl)Cl)O4)C
• WGK Germany: 3
• Molecular Weight: 298.19
• Beilstein: 3653352
• Reaxy-Rn: 42049200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42049200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Gamma sultams Organosulfonic acids and derivatives Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Bornane monoterpenoid - Gamma-sultam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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: 298.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 296.999 Da
• Monoisotopic Mass: 296.999 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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