586391-32-4
4-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name4-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
1Identification
【Name】
4-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574597
【English Synonyms】
【Formula】
C18 H18 N2 O4 S
【MolWeight】
358.416
【Inchi】
InChI=1S/C18H18N2O4S/c1-11-3-8-15(12(2)9-11)24-10-16(21)20-18(25)19-14-6-4-13(5-7-14)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=NMPLFCSNXKOPSA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OCC(=O)NC(=S)Nc2ccc(cc2)C(=O)O
【MOL File】
4-[[[[(2,4-DIMETHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[[[(2,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml