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854107-53-2 | 3-(2-Methylphenyl)-2-((Z)-propylimino)thiazolidin-4-one
CAS No: 854107-53-2 Catalog No: AG00ILWI MDL No:
Product Description
Catalog Number:
AG00ILWI
Chemical Name:
3-(2-Methylphenyl)-2-((Z)-propylimino)thiazolidin-4-one
CAS Number:
854107-53-2
Molecular Formula:
C13H16N2OS
Molecular Weight:
248.3439
IUPAC Name:
3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H16N2OS/c1-3-8-14-13-15(12(16)9-17-13)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3
InChI Key:
OYBHACSOBWDLDC-UHFFFAOYSA-N
SMILES:
CCC/N=C/1\SCC(=O)N1c1ccccc1C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.344g/mol
Monoisotopic Mass:
248.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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