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Thiodiglycolic Anhydride

CAT: 0572-TRC-T344525-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344525-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3261-87-8
Synonyms
1,4-Oxathiane-2,6-dione; Thiodiacetic Acid Cyclic Anhydride; 2,2'-Thiodiglycolic Anhydride; 2,2'-Thiobisacetic Acid Cyclic Anhydride; NSC 147625
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O=C1CSCC(=O)O1
Molecular Formula
C4H4O3S
Molecular Weight
132.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,4-Oxathiane-2,6-dione
CAS Number3261-87-8
PubChem CID137871
IUPAC Name1,4-oxathiane-2,6-dione
Molecular FormulaC4H4O3S
Molecular Weight132.14
XLogP0.4
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity117
SMILES
C1C(=O)OC(=O)CS1
InChI
InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2
InChIKey
RIIUAPMWDSRBSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Oxathiane-2,6-dione
CAS: 3261-87-8
CID: 137871
Formula: C4H4O3S
MW: 132.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.14
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass131.98811516
Monoisotopic Mass131.98811516
Topological Polar Surface Area68.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity117
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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