87236-33-7
4-((5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ANTIPYRINE HYDROBROMIDE
Name4-((5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ANTIPYRINE HYDROBROMIDE
pro_formulaC14 H15 N5 O S . Br H
1Identification
【Name】
4-((5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ANTIPYRINE HYDROBROMIDE
【CAS】
【MDL】
MFCD01693097
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H15 N5 O S . Br H
【pro_molWeight】
382.284
【Inchi】
InChI=1S/C14H15N5OS.BrH/c1-9-12(21-14-15-10(2)16-17-14)13(20)19(18(9)3)11-7-5-4-6-8-11;/h4-8H,1-3H3,(H,15,16,17);1H
【InChIKey】
InChIKey=XOJOECIKVVNZAN-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n(n1C)c2ccccc2)Sc3nc([nH]n3)C.Br
【MOL File】
4-((5-METHYL-4H-1,2,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-((5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ANTIPYRINE HYDROBROMIDE.cml