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851620-54-7 | Ethanone, 1-phenyl-2-(3-phenyl-2-thiazolidinylidene)-, (2Z)-
CAS No: 851620-54-7 Catalog No: AG004QRL MDL No:
Product Description
Catalog Number:
AG004QRL
Chemical Name:
Ethanone, 1-phenyl-2-(3-phenyl-2-thiazolidinylidene)-, (2Z)-
CAS Number:
851620-54-7
Molecular Formula:
C17H15NOS
Molecular Weight:
281.3721
IUPAC Name:
1-phenyl-2-(3-phenyl-1,3-thiazolidin-2-ylidene)ethanone
InChI:
InChI=1S/C17H15NOS/c19-16(14-7-3-1-4-8-14)13-17-18(11-12-20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChI Key:
AQVKEAGBQOEDKM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/1\SCCN1c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.373g/mol
Monoisotopic Mass:
281.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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