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23517-45-5 | 4-Thiazolidinone, 3-(4-iodophenyl)-5-methyl-2-thioxo-
CAS No: 23517-45-5 Catalog No: AG002NJT MDL No:
Product Description
Catalog Number:
AG002NJT
Chemical Name:
4-Thiazolidinone, 3-(4-iodophenyl)-5-methyl-2-thioxo-
CAS Number:
23517-45-5
Molecular Formula:
C10H8INOS2
Molecular Weight:
349.2111
IUPAC Name:
3-(4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H8INOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3
InChI Key:
DADXDQGOZNXDAW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N1C(=S)SC(C1=O)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.909g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.204g/mol
Monoisotopic Mass:
348.909g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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