701929-58-0
(9-ETHYL-9H-BENZO[4,5]IMIDAZO[2,1-C][1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
Name(9-ETHYL-9H-BENZO[4,5]IMIDAZO[2,1-C][1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
1Identification
【Name】
(9-ETHYL-9H-BENZO[4,5]IMIDAZO[2,1-C][1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD05237219
【English Synonyms】
【Formula】
C12 H12 N4 O2 S
【MolWeight】
276.319
【Inchi】
InChI=1S/C12H12N4O2S/c1-2-15-8-5-3-4-6-9(8)16-11(15)13-14-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)
【InChIKey】
InChIKey=RAZCIDFHBWNBTF-UHFFFAOYSA-N
【SMILES】
CCn1c2ccccc2n3c1nnc3SCC(=O)O
【MOL File】
(9-ETHYL-9H-BENZO[4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(9-ETHYL-9H-BENZO[4,5]IMIDAZO[2,1-C][1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACID.cml