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85169-21-7 | 4-ETHOXY-2-MERCAPTOBENZAMIDE
CAS No: 85169-21-7 Catalog No: AG004WCT MDL No:
Product Description
Catalog Number:
AG004WCT
Chemical Name:
4-ETHOXY-2-MERCAPTOBENZAMIDE
CAS Number:
85169-21-7
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
4-ethoxy-2-sulfanylbenzamide
InChI:
InChI=1S/C9H11NO2S/c1-2-12-6-3-4-7(9(10)11)8(13)5-6/h3-5,13H,2H2,1H3,(H2,10,11)
InChI Key:
RWOSVQWVYSMNOG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)S)C(=O)N
EC Number:
285-963-7
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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