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125788-00-3 | Benzamide, N-[(hexylamino)thioxomethyl]-
CAS No: 125788-00-3 Catalog No: AG000OR9 MDL No:
Product Description
Catalog Number:
AG000OR9
Chemical Name:
Benzamide, N-[(hexylamino)thioxomethyl]-
CAS Number:
125788-00-3
Molecular Formula:
C14H20N2OS
Molecular Weight:
264.3864
IUPAC Name:
N-(hexylcarbamothioyl)benzamide
InChI:
InChI=1S/C14H20N2OS/c1-2-3-4-8-11-15-14(18)16-13(17)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,15,16,17,18)
InChI Key:
MVZCWBLLCMPQBI-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=S)NC(=O)c1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.13g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.387g/mol
Monoisotopic Mass:
264.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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