634593-20-7
2-[(2,2-DIMETHYLPROPANOYL)AMINO]-5-METHYL-3-THIOPHENECARBOXYLIC ACID
Name2-[(2,2-DIMETHYLPROPANOYL)AMINO]-5-METHYL-3-THIOPHENECARBOXYLIC ACID
1Identification
【Name】
2-[(2,2-DIMETHYLPROPANOYL)AMINO]-5-METHYL-3-THIOPHENECARBOXYLIC ACID
【CAS】
【MDL】
MFCD03725810
【English Synonyms】
【Formula】
C11 H15 N O3 S
【MolWeight】
241.309
【Inchi】
InChI=1S/C11H15NO3S/c1-6-5-7(9(13)14)8(16-6)12-10(15)11(2,3)4/h5H,1-4H3,(H,12,15)(H,13,14)
【InChIKey】
InChIKey=QGGGLFAQLJKYKA-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(s1)NC(=O)C(C)(C)C)C(=O)O
【MOL File】
2-[(2,2-DIMETHYLPROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(2,2-DIMETHYLPROPANOYL)AMINO]-5-METHYL-3-THIOPHENECARBOXYLIC ACID.cml