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34906-12-2 | 1,3-Dithiane-2-carboxaldehyde
CAS No: 34906-12-2 Catalog No: AG007H46 MDL No:
Product Description
Catalog Number:
AG007H46
Chemical Name:
1,3-Dithiane-2-carboxaldehyde
CAS Number:
34906-12-2
Molecular Formula:
C5H8OS2
Molecular Weight:
148.2464
IUPAC Name:
1,3-dithiane-2-carbaldehyde
InChI:
InChI=1S/C5H8OS2/c6-4-5-7-2-1-3-8-5/h4-5H,1-3H2
InChI Key:
WRYSGNLHKMDHMG-UHFFFAOYSA-N
SMILES:
O=CC1SCCCS1
Properties
Complexity:
78.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.002g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.238g/mol
Monoisotopic Mass:
148.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| The dithianyl group as a synthon in porphyrin chemistry: condensation reactions and preparation of formylporphyrins under basic conditions. | Journal of the American Chemical Society 20041027 |
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