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114827-49-5 | Ethyl 2-(pyridin-2-ylsulfanyl)propanoate
CAS No: 114827-49-5 Catalog No: AG01FBS2 MDL No:MFCD16089582
Product Description
Catalog Number:
AG01FBS2
Chemical Name:
Ethyl 2-(pyridin-2-ylsulfanyl)propanoate
CAS Number:
114827-49-5
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD16089582
IUPAC Name:
ethyl 2-pyridin-2-ylsulfanylpropanoate
InChI:
InChI=1S/C10H13NO2S/c1-3-13-10(12)8(2)14-9-6-4-5-7-11-9/h4-8H,3H2,1-2H3
InChI Key:
KEEXIBVEPRLFHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccccn1)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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