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178408-10-1

178408-10-1 | Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-

CAS No: 178408-10-1 Catalog No: AG0025ZY MDL No:

Product Description

Catalog Number:
AG0025ZY
Chemical Name:
Pentanamide, 4,4-dimethyl-3-oxo-N-(phenylthioxomethyl)-
CAS Number:
178408-10-1
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
IUPAC Name:
N-(benzenecarbonothioyl)-4,4-dimethyl-3-oxopentanamide
InChI:
InChI=1S/C14H17NO2S/c1-14(2,3)11(16)9-12(17)15-13(18)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,17,18)
InChI Key:
VGHDLKHNJQZHBV-UHFFFAOYSA-N
SMILES:
O=C(NC(=S)c1ccccc1)CC(=O)C(C)(C)C

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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