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85260-51-1 | 2-Thiazolidinethione, 3-(1-oxopropyl)-
CAS No: 85260-51-1 Catalog No: AG004PTD MDL No:MFCD17013473
Product Description
Catalog Number:
AG004PTD
Chemical Name:
2-Thiazolidinethione, 3-(1-oxopropyl)-
CAS Number:
85260-51-1
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
MDL Number:
MFCD17013473
IUPAC Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
InChI:
InChI=1S/C6H9NOS2/c1-2-5(8)7-3-4-10-6(7)9/h2-4H2,1H3
InChI Key:
PFGBSLBKUIMZLZ-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCSC1=S
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.264g/mol
Monoisotopic Mass:
175.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Ni(II) bis(oxazoline)-catalyzed enantioselective syn aldol reactions of N-propionylthiazolidinethiones in the presence of silyl triflates. | Journal of the American Chemical Society 20030723 |
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