Home Other Building Blocks 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-methylpropanoic acid

2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-methylpropanoic acid

CAS No.:
1249219-78-0
Catalog Number:
AG019TNV
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
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Product Description
Catalog Number:
AG019TNV
Chemical Name:
2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-methylpropanoic acid
CAS Number:
1249219-78-0
Molecular Formula:
C8H15NO4S
Molecular Weight:
221.2740
MDL Number:
MFCD14608435
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C8H15NO4S/c1-8(2,7(10)11)9-3-5-14(12,13)6-4-9/h3-6H2,1-2H3,(H,10,11)
InChI Key:
DYIGIFSYEYOLBF-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1CCS(=O)(=O)CC1)(C)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.271g/mol
Monoisotopic Mass:
221.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  
Properties