535939-35-6
3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
1Identification
【Name】
3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03571407
【English Synonyms】
【Formula】
C17 H16 N2 O4 S
【MolWeight】
344.389
【Inchi】
InChI=1S/C17H16N2O4S/c1-10-11(16(21)22)7-5-8-13(10)18-17(24)19-15(20)12-6-3-4-9-14(12)23-2/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,24)
【InChIKey】
InChIKey=RLBZJRHWXHBXSR-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2ccccc2OC)C(=O)O
【MOL File】
3-[[[(2-METHOXYBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml