Home Carboxys 6-(1,1-dioxo-1lambda6-thiomorpholine-4-carbonyl)pyridine-2-carboxylic acid

6-(1,1-dioxo-1lambda6-thiomorpholine-4-carbonyl)pyridine-2-carboxylic acid

CAS No.:
1155538-89-8
Catalog Number:
AG01A232
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
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Product Description
Catalog Number:
AG01A232
Chemical Name:
6-(1,1-dioxo-1lambda6-thiomorpholine-4-carbonyl)pyridine-2-carboxylic acid
CAS Number:
1155538-89-8
Molecular Formula:
C11H12N2O5S
Molecular Weight:
284.2884
MDL Number:
MFCD12483952
IUPAC Name:
6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O5S/c14-10(13-4-6-19(17,18)7-5-13)8-2-1-3-9(12-8)11(15)16/h1-3H,4-7H2,(H,15,16)
InChI Key:
FEALAHKKLPRQDT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(n1)C(=O)O)N1CCS(=O)(=O)CC1
Properties
Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.286g/mol
Monoisotopic Mass:
284.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties