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59615-89-3 | 2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
CAS No: 59615-89-3 Catalog No: AG00ITD8 MDL No:MFCD00129425
Product Description
Catalog Number:
AG00ITD8
Chemical Name:
2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
CAS Number:
59615-89-3
Molecular Formula:
C12H7N3OS
Molecular Weight:
241.2685
MDL Number:
MFCD00129425
IUPAC Name:
2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C12H7N3OS/c13-6-9(7-14)12-15(11(16)8-17-12)10-4-2-1-3-5-10/h1-5H,8H2
InChI Key:
MERHVCUWAUOYPY-UHFFFAOYSA-N
SMILES:
N#CC(=C1SCC(=O)N1c1ccccc1)C#N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.268g/mol
Monoisotopic Mass:
241.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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