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147079-46-7 | Benzoic acid, 2-(methylamino)-5-(methylthio)-, ethyl ester
CAS No: 147079-46-7 Catalog No: AG001EKM MDL No:
Product Description
Catalog Number:
AG001EKM
Chemical Name:
Benzoic acid, 2-(methylamino)-5-(methylthio)-, ethyl ester
CAS Number:
147079-46-7
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
ethyl 2-(methylamino)-5-methylsulfanylbenzoate
InChI:
InChI=1S/C11H15NO2S/c1-4-14-11(13)9-7-8(15-3)5-6-10(9)12-2/h5-7,12H,4H2,1-3H3
InChI Key:
BCVCOUNZPQKBNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(SC)ccc1NC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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