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15441-09-5 | 1lambda6,2-thiazolidine-1,1,3-trione
CAS No: 15441-09-5 Catalog No: AG01A6WD MDL No:MFCD08456668
Product Description
Catalog Number:
AG01A6WD
Chemical Name:
1lambda6,2-thiazolidine-1,1,3-trione
CAS Number:
15441-09-5
Molecular Formula:
C3H5NO3S
Molecular Weight:
135.1417
MDL Number:
MFCD08456668
IUPAC Name:
1,1-dioxo-1,2-thiazolidin-3-one
InChI:
InChI=1S/C3H5NO3S/c5-3-1-2-8(6,7)4-3/h1-2H2,(H,4,5)
InChI Key:
ASJJYLPJOJGZAW-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)(=O)N1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.137g/mol
Monoisotopic Mass:
134.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Asymmetric synthesis of the (S)-1,1-dioxido-isothiazolidin-3-one phosphotyrosine mimetic via reduction of a homochiral (R)-oxido-isothiazolidin-3-one. | Organic letters 20070329 |
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