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556-90-1 | Pseudothiohydantoin
CAS No: 556-90-1 Catalog No: AG003U0F MDL No:MFCD00003186
Product Description
Catalog Number:
AG003U0F
Chemical Name:
Pseudothiohydantoin
CAS Number:
556-90-1
Molecular Formula:
C3H4N2OS
Molecular Weight:
116.1417
MDL Number:
MFCD00003186
IUPAC Name:
2-amino-1,3-thiazol-4-one
InChI:
InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChI Key:
HYMJHROUVPWYNQ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)N
EC Number:
209-145-6
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.138g/mol
Monoisotopic Mass:
116.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Design and synthesis of 2-iminothiazolidin-4-one moiety-containing compounds as potent antiproliferative agents. | Archiv der Pharmazie 20120501 |
| A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET. | Bioorganic & medicinal chemistry letters 20110915 |
| Novel 2-thioxothiazolidin-4-one inhibitors of bacterial MurD ligase targeting D-Glu- and diphosphate-binding sites. | European journal of medicinal chemistry 20110901 |
| 3D-QSAR studies on thiazolidin-4-one S1P₁receptor agonists by CoMFA and CoMSIA. | International journal of molecular sciences 20110101 |
| 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists. | Journal of medicinal chemistry 20100527 |
| An efficient synthesis of substituted 2-iminothiazolidin-4-one and thiadiazoloquinazolinone derivatives. | Molecular diversity 20090801 |
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