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5908-62-3 | Isothiazolidine 1,1-dioxide
CAS No: 5908-62-3 Catalog No: AG003D8W MDL No:MFCD09802220
Product Description
Catalog Number:
AG003D8W
Chemical Name:
Isothiazolidine 1,1-dioxide
CAS Number:
5908-62-3
Molecular Formula:
C3H7NO2S
Molecular Weight:
121.1582
MDL Number:
MFCD09802220
IUPAC Name:
1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C3H7NO2S/c5-7(6)3-1-2-4-7/h4H,1-3H2
InChI Key:
XGYCWCIGCYGQFU-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.02g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.154g/mol
Monoisotopic Mass:
121.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors. | Bioorganic & medicinal chemistry letters 20080401 |
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