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Home > Thiazole > 1016675-93-6
1016675-93-6 | N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxobutanamide
CAS No: 1016675-93-6 Catalog No: AG019UAW MDL No:MFCD09804501
Product Description
Catalog Number:
AG019UAW
Chemical Name:
N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxobutanamide
CAS Number:
1016675-93-6
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
MDL Number:
MFCD09804501
IUPAC Name:
N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxobutanamide
InChI:
InChI=1S/C12H12N2O2S/c1-7(15)5-12(16)14-9-3-4-10-11(6-9)17-8(2)13-10/h3-4,6H,5H2,1-2H3,(H,14,16)
InChI Key:
FCVNZOTZZDFWSY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)sc(n2)C)CC(=O)C
Properties
Complexity:
322
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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