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5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide - 95%, high purity , CAS No.89729-09-9
Basic Description
Synonyms
SCHEMBL5007880 | 5,7-dioxa-6 | 5,7-Dioxa-6-thiaspiro[2.5]octane6-oxide | 5,7-dioxa-6-thia-spiro[2.5]octane 6-oxide | 5,7-Dioxa-6-thiaspiro[2.5]octane 6-oxide | DTXSID701008957 | 1,1-Cyclopropane dimethanol cyclic sulphate | AISMUYPWEMPRTF-UHFFFAOYSA-N | 5
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxathiolanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dioxathiolanes
Alternative Parents
Sulfite esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Dioxathiolane - Sulfite ester - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dioxathiolanes. These are organic heterocyclic compounds containing a dioxathiolane, with a structure consisting of a five-membered saturated ring with one sulfur atom, two oxygen atoms, and two 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.
Names and Identifiers
IUPAC Name
5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
INCHI
InChI=1S/C5H8O3S/c6-9-7-3-5(1-2-5)4-8-9/h1-4H2
InChIKey
AISMUYPWEMPRTF-UHFFFAOYSA-N
Smiles
C1CC12COS(=O)OC2
Isomeric SMILES
C1CC12COS(=O)OC2
Molecular Weight
148.18
Reaxy-Rn
2516901
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2516901&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
148.180 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
148.019 Da
Monoisotopic Mass
148.019 Da
Topological Polar Surface Area
54.700 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
140.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
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