Home Carboxys 2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid

CAS No.:
1041059-16-8
Catalog Number:
AG01AACH
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
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Product Description
Catalog Number:
AG01AACH
Chemical Name:
2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CAS Number:
1041059-16-8
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
MDL Number:
MFCD03180319
IUPAC Name:
2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C12H15NO2S/c1-7-3-4-9(8(2)5-7)11-13-10(6-16-11)12(14)15/h3-5,10-11,13H,6H2,1-2H3,(H,14,15)
InChI Key:
WTDGOGLHWOAHSL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)c1ccc(cc1C)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.317g/mol
Monoisotopic Mass:
237.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties