Home Carboxys 1,1,5-trioxo-1lambda6-thiomorpholine-3-carboxylic acid

1,1,5-trioxo-1lambda6-thiomorpholine-3-carboxylic acid

CAS No.:
122556-18-7
Catalog Number:
AG01C73U
Molecular Formula:
C5H7NO5S
Molecular Weight:
193.1778
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Product Description
Catalog Number:
AG01C73U
Chemical Name:
1,1,5-trioxo-1lambda6-thiomorpholine-3-carboxylic acid
CAS Number:
122556-18-7
Molecular Formula:
C5H7NO5S
Molecular Weight:
193.1778
MDL Number:
MFCD31433975
IUPAC Name:
1,1,5-trioxo-1,4-thiazinane-3-carboxylic acid
InChI:
InChI=1S/C5H7NO5S/c7-4-2-12(10,11)1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChI Key:
JSRUCHVKGKSCRO-UHFFFAOYSA-N
SMILES:
O=C1NC(CS(=O)(=O)C1)C(=O)O
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.173g/mol
Monoisotopic Mass:
193.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties