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89804-54-6 | Benzamide, 3,5-dimethoxy-N-(1-thioxoethyl)-
CAS No: 89804-54-6 Catalog No: AG003ZI5 MDL No:
Product Description
Catalog Number:
AG003ZI5
Chemical Name:
Benzamide, 3,5-dimethoxy-N-(1-thioxoethyl)-
CAS Number:
89804-54-6
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
N-ethanethioyl-3,5-dimethoxybenzamide
InChI:
InChI=1S/C11H13NO3S/c1-7(16)12-11(13)8-4-9(14-2)6-10(5-8)15-3/h4-6H,1-3H3,(H,12,13,16)
InChI Key:
PVWQCTOTISKTAZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)NC(=S)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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