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139408-38-1 | 1,4-Dithiane, 1,1-dioxide
CAS No: 139408-38-1 Catalog No: AG001AYJ MDL No:
Product Description
Catalog Number:
AG001AYJ
Chemical Name:
1,4-Dithiane, 1,1-dioxide
CAS Number:
139408-38-1
Molecular Formula:
C4H8O2S2
Molecular Weight:
152.2351
IUPAC Name:
1,4-dithiane 1,1-dioxide
InChI:
InChI=1S/C4H8O2S2/c5-8(6)3-1-7-2-4-8/h1-4H2
InChI Key:
JYTXEYHYTZOGGQ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCSCC1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.997g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.226g/mol
Monoisotopic Mass:
151.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone). | The Journal of organic chemistry 20060331 |
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