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2362-55-2 | Thianthrene, 5,5,10,10-tetraoxide
CAS No: 2362-55-2 Catalog No: AG002NX5 MDL No:
Product Description
Catalog Number:
AG002NX5
Chemical Name:
Thianthrene, 5,5,10,10-tetraoxide
CAS Number:
2362-55-2
Molecular Formula:
C12H8O4S2
Molecular Weight:
280.3195
IUPAC Name:
thianthrene 5,5,10,10-tetraoxide
InChI:
InChI=1S/C12H8O4S2/c13-17(14)9-5-1-2-6-10(9)18(15,16)12-8-4-3-7-11(12)17/h1-8H
InChI Key:
OETBGSAJFWSUDM-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2S(=O)(=O)c2c1cccc2
NSC Number:
18867
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.986g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.312g/mol
Monoisotopic Mass:
279.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide. | The Journal of organic chemistry 20060804 |
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