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138747-40-7 | 1,2-Dithiolan-3-one, 4-hydroxy-4,5,5-trimethyl-, 1-oxide
CAS No: 138747-40-7 Catalog No: AG0019GZ MDL No:
Product Description
Catalog Number:
AG0019GZ
Chemical Name:
1,2-Dithiolan-3-one, 4-hydroxy-4,5,5-trimethyl-, 1-oxide
CAS Number:
138747-40-7
Molecular Formula:
C6H10O3S2
Molecular Weight:
194.2718
IUPAC Name:
4-hydroxy-4,5,5-trimethyl-1-oxodithiolan-3-one
InChI:
InChI=1S/C6H10O3S2/c1-5(2)6(3,8)4(7)10-11(5)9/h8H,1-3H3
InChI Key:
GLBOAUJFWXADKX-UHFFFAOYSA-N
SMILES:
O=C1SS(=O)C(C1(C)O)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.007g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.263g/mol
Monoisotopic Mass:
194.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Possible chemical mechanisms underlying the antitumor activity of S-deoxyleinamycin. | Bioorganic & medicinal chemistry letters 20080515 |
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