511284-39-2
3-[2-(4-METHYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETYLAMINO]-BENZOIC ACID
Name3-[2-(4-METHYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETYLAMINO]-BENZOIC ACID
1Identification
【Name】
3-[2-(4-METHYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETYLAMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03771461
【English Synonyms】
【Formula】
C12 H12 N4 O3 S
【MolWeight】
292.318
【Inchi】
InChI=1S/C12H12N4O3S/c1-16-7-13-15-12(16)20-6-10(17)14-9-4-2-3-8(5-9)11(18)19/h2-5,7H,6H2,1H3,(H,14,17)(H,18,19)
【InChIKey】
InChIKey=RDOYILDEAZBWGZ-UHFFFAOYSA-N
【SMILES】
Cn1cnnc1SCC(=O)Nc2cccc(c2)C(=O)O
【MOL File】
3-[2-(4-METHYL-4H-[1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[2-(4-METHYL-4H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETYLAMINO]-BENZOIC ACID.cml