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119368-35-3 | Propanoic acid, 2-methyl-2-(2-pyridinylthio)-, ethyl ester
CAS No: 119368-35-3 Catalog No: AG000INC MDL No:
Product Description
Catalog Number:
AG000INC
Chemical Name:
Propanoic acid, 2-methyl-2-(2-pyridinylthio)-, ethyl ester
CAS Number:
119368-35-3
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
ethyl 2-methyl-2-pyridin-2-ylsulfanylpropanoate
InChI:
InChI=1S/C11H15NO2S/c1-4-14-10(13)11(2,3)15-9-7-5-6-8-12-9/h5-8H,4H2,1-3H3
InChI Key:
YWZSCOCJXZRUOJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccccn1)(C)C
Properties
Complexity:
219
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:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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