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162702-06-9 | Butanamide, N-(4-cyano-3-methyl-5-isothiazolyl)-
CAS No: 162702-06-9 Catalog No: AG001TBW MDL No:
Product Description
Catalog Number:
AG001TBW
Chemical Name:
Butanamide, N-(4-cyano-3-methyl-5-isothiazolyl)-
CAS Number:
162702-06-9
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
IUPAC Name:
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)butanamide
InChI:
InChI=1S/C9H11N3OS/c1-3-4-8(13)11-9-7(5-10)6(2)12-14-9/h3-4H2,1-2H3,(H,11,13)
InChI Key:
AYPMWVMOQSFAIE-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1snc(c1C#N)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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