Home Aminos 2-amino-5-(thiomorpholin-4-yl)benzoic acid

2-amino-5-(thiomorpholin-4-yl)benzoic acid

CAS No.:
1183582-61-7
Catalog Number:
AG01A8K9
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
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Product Description
Catalog Number:
AG01A8K9
Chemical Name:
2-amino-5-(thiomorpholin-4-yl)benzoic acid
CAS Number:
1183582-61-7
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
MDL Number:
MFCD12784375
IUPAC Name:
2-amino-5-thiomorpholin-4-ylbenzoic acid
InChI:
InChI=1S/C11H14N2O2S/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChI Key:
BRWQPQXXGYZVMH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)N1CCSCC1
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties