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89314-39-6 | Benzamide, N-[(diethylamino)thioxomethyl]-4-methoxy-
CAS No: 89314-39-6 Catalog No: AG003ZX9 MDL No:
Product Description
Catalog Number:
AG003ZX9
Chemical Name:
Benzamide, N-[(diethylamino)thioxomethyl]-4-methoxy-
CAS Number:
89314-39-6
Molecular Formula:
C13H18N2O2S
Molecular Weight:
266.3592
IUPAC Name:
N-(diethylcarbamothioyl)-4-methoxybenzamide
InChI:
InChI=1S/C13H18N2O2S/c1-4-15(5-2)13(18)14-12(16)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,14,16,18)
InChI Key:
MWDUNPOJYKWHHG-UHFFFAOYSA-N
SMILES:
CCN(C(=S)NC(=O)c1ccc(cc1)OC)CC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.359g/mol
Monoisotopic Mass:
266.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 1,1-Diethyl-3-(4-meth-oxy-benzo-yl)thio-urea. | Acta crystallographica. Section E, Structure reports online 20111201 |
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