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142066-04-4 | Ethanethioic acid, (benzoylamino)-, O-ethyl ester (9CI)
CAS No: 142066-04-4 Catalog No: AG001HOK MDL No:
Product Description
Catalog Number:
AG001HOK
Chemical Name:
Ethanethioic acid, (benzoylamino)-, O-ethyl ester (9CI)
CAS Number:
142066-04-4
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
O-ethyl 2-benzamidoethanethioate
InChI:
InChI=1S/C11H13NO2S/c1-2-14-10(15)8-12-11(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChI Key:
PSSJLCFRTJBHIA-UHFFFAOYSA-N
SMILES:
CCOC(=S)CNC(=O)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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