Home Carbonyls 2-{[3-(ethoxycarbonyl)pyridin-2-yl]sulfanyl}acetic acid

2-{[3-(ethoxycarbonyl)pyridin-2-yl]sulfanyl}acetic acid

CAS No.:
697265-62-6
Catalog Number:
AG019V7P
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
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Product Description
Catalog Number:
AG019V7P
Chemical Name:
2-{[3-(ethoxycarbonyl)pyridin-2-yl]sulfanyl}acetic acid
CAS Number:
697265-62-6
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD09931509
IUPAC Name:
2-(3-ethoxycarbonylpyridin-2-yl)sulfanylacetic acid
InChI:
InChI=1S/C10H11NO4S/c1-2-15-10(14)7-4-3-5-11-9(7)16-6-8(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChI Key:
QRDPYFICIVAXGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccnc1SCC(=O)O
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties