733030-45-0
3-(5-DIMETHYLSULFAMOYL-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
Name3-(5-DIMETHYLSULFAMOYL-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
1Identification
【Name】
3-(5-DIMETHYLSULFAMOYL-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
【CAS】
【MDL】
MFCD04635811
【English Synonyms】
【Formula】
C13 H17 N3 O4 S
【MolWeight】
311.36
【Inchi】
InChI=1S/C13H17N3O4S/c1-15(2)21(19,20)9-4-5-11-10(8-9)14-12(16(11)3)6-7-13(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=TYQLURJFXMSFSW-UHFFFAOYSA-N
【SMILES】
Cn1c2ccc(cc2nc1CCC(=O)O)S(=O)(=O)N(C)C
【MOL File】
3-(5-DIMETHYLSULFAMO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-DIMETHYLSULFAMOYL-1-METHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID.cml