532418-55-6
3-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
1Identification
【Name】
3-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03569841
【English Synonyms】
【Formula】
C19 H20 N2 O4 S
【MolWeight】
372.443
【Inchi】
InChI=1S/C19H20N2O4S/c1-11-7-8-14(9-12(11)2)25-10-17(22)21-19(26)20-16-6-4-5-15(13(16)3)18(23)24/h4-9H,10H2,1-3H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=SPZHFXCFOWRNMK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)OCC(=O)NC(=S)Nc2cccc(c2C)C(=O)O
【MOL File】
3-[[[[(3,4-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
3-[[[[(3,4-DIMETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml