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136835-39-7 | Benzamide, N-[(diethylamino)thioxomethyl]-4-hydroxy-
CAS No: 136835-39-7 Catalog No: AG0012G8 MDL No:
Product Description
Catalog Number:
AG0012G8
Chemical Name:
Benzamide, N-[(diethylamino)thioxomethyl]-4-hydroxy-
CAS Number:
136835-39-7
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
IUPAC Name:
N-(diethylcarbamothioyl)-4-hydroxybenzamide
InChI:
InChI=1S/C12H16N2O2S/c1-3-14(4-2)12(17)13-11(16)9-5-7-10(15)8-6-9/h5-8,15H,3-4H2,1-2H3,(H,13,16,17)
InChI Key:
UQNPDWURWSADQB-UHFFFAOYSA-N
SMILES:
CCN(C(=S)NC(=O)c1ccc(cc1)O)CC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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