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162702-04-7 | Butanamide, N-(4-cyano-3-methyl-5-isothiazolyl)-3-methyl-
CAS No: 162702-04-7 Catalog No: AG001TBX MDL No:
Product Description
Catalog Number:
AG001TBX
Chemical Name:
Butanamide, N-(4-cyano-3-methyl-5-isothiazolyl)-3-methyl-
CAS Number:
162702-04-7
Molecular Formula:
C10H13N3OS
Molecular Weight:
223.2947
IUPAC Name:
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)-3-methylbutanamide
InChI:
InChI=1S/C10H13N3OS/c1-6(2)4-9(14)12-10-8(5-11)7(3)13-15-10/h6H,4H2,1-3H3,(H,12,14)
InChI Key:
PFTVBIJQDAPGBO-UHFFFAOYSA-N
SMILES:
N#Cc1c(snc1C)NC(=O)CC(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.294g/mol
Monoisotopic Mass:
223.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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