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1,3,2-Dioxathiane 2,2-Dioxide

CAT: 0572-TRC-D486750-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D486750-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1073-05-8
Synonyms
1,3,2-Dioxathiane 2,2-Dioxide
Hazard Statement
Suspected of causing cancer.
Smiles
O=S1(=O)OCCCO1
Molecular Formula
C3 H6 O4 S
Molecular Weight
138.142
InChI
InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
Additionnal Information
IUPAC name: 1,3,2-dioxathiane 2,2-dioxide
Shipping Conditions
Room Temperature

Chemical Information

1,3,2-Dioxathiane, 2,2-dioxide
CAS Number1073-05-8
PubChem CID70623
IUPAC Name1,3,2-dioxathiane 2,2-dioxide
Molecular FormulaC3H6O4S
Molecular Weight138.14
XLogP-0.2
Topological Polar Surface Area61
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity141
SMILES
C1COS(=O)(=O)OC1
InChI
InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
InChIKey
OQYOVYWFXHQYOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,2-Dioxathiane, 2,2-dioxide
CAS: 1073-05-8
CID: 70623
Formula: C3H6O4S
MW: 138.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.14
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass137.99867984
Monoisotopic Mass137.99867984
Topological Polar Surface Area61 Ų
Heavy Atom Count8
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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