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103094-06-0 | 4,5-Thiazolidinedione, 3-ethyl-2-thioxo-, 5-oxime
CAS No: 103094-06-0 Catalog No: AG00863F MDL No:
Product Description
Catalog Number:
AG00863F
Chemical Name:
4,5-Thiazolidinedione, 3-ethyl-2-thioxo-, 5-oxime
CAS Number:
103094-06-0
Molecular Formula:
C5H6N2O2S2
Molecular Weight:
190.2433
IUPAC Name:
3-ethyl-4-hydroxy-5-nitroso-1,3-thiazole-2-thione
InChI:
InChI=1S/C5H6N2O2S2/c1-2-7-4(8)3(6-9)11-5(7)10/h8H,2H2,1H3
InChI Key:
OKWFMYRRDPAADG-UHFFFAOYSA-N
SMILES:
CCN1C(=S)SC(=NO)C1=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.987g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.235g/mol
Monoisotopic Mass:
189.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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