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884507-29-3 | 4-Pyridinecarboxylicacid, 2-(4-thiomorpholinyl)-
CAS No: 884507-29-3 Catalog No: AG004GTP MDL No:MFCD09025860
Product Description
Catalog Number:
AG004GTP
Chemical Name:
4-Pyridinecarboxylicacid, 2-(4-thiomorpholinyl)-
CAS Number:
884507-29-3
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD09025860
IUPAC Name:
2-thiomorpholin-4-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O2S/c13-10(14)8-1-2-11-9(7-8)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H,13,14)
InChI Key:
DDAWRDLRTZFVHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)N1CCSCC1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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