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89153-71-9 | Benzamide, N-(aminothioxomethyl)-3,4,5-triethoxy-
CAS No: 89153-71-9 Catalog No: AG003WS5 MDL No:
Product Description
Catalog Number:
AG003WS5
Chemical Name:
Benzamide, N-(aminothioxomethyl)-3,4,5-triethoxy-
CAS Number:
89153-71-9
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
IUPAC Name:
N-carbamothioyl-3,4,5-triethoxybenzamide
InChI:
InChI=1S/C14H20N2O4S/c1-4-18-10-7-9(13(17)16-14(15)21)8-11(19-5-2)12(10)20-6-3/h7-8H,4-6H2,1-3H3,(H3,15,16,17,21)
InChI Key:
CPBUQBSXHKIPNE-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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