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89442-21-7 | 4-Thiazolidinone, 2-phenyl-3-pyrazinyl-
CAS No: 89442-21-7 Catalog No: AG0088HD MDL No:
Product Description
Catalog Number:
AG0088HD
Chemical Name:
4-Thiazolidinone, 2-phenyl-3-pyrazinyl-
CAS Number:
89442-21-7
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
2-phenyl-3-pyrazin-2-yl-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H11N3OS/c17-12-9-18-13(10-4-2-1-3-5-10)16(12)11-8-14-6-7-15-11/h1-8,13H,9H2
InChI Key:
SHHHEXWBDGOVLV-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1c1cnccn1)c1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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