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730951-05-0 | N-(4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CAS No: 730951-05-0 Catalog No: AG019J58 MDL No:MFCD04621656
Product Description
Catalog Number:
AG019J58
Chemical Name:
N-(4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CAS Number:
730951-05-0
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD04621656
IUPAC Name:
N-(4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
InChI:
InChI=1S/C12H12N2O2S/c1-8-2-4-9(5-3-8)13-10(15)6-12-14-11(16)7-17-12/h2-6H,7H2,1H3,(H,13,15)(H,14,16)
InChI Key:
GJXAMSUVGWUBBP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)C=C1SCC(=O)N1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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