97018-83-2
NICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
NameNICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
pro_formulaC17 H21 N3 O S
1Identification
【Name】
NICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
【CAS】
【MDL】
MFCD01711758
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H21 N3 O S
【pro_molWeight】
315.439
【Inchi】
InChI=1S/C17H21N3OS/c1-2-3-4-5-9-15(16-10-7-12-22-16)19-20-17(21)14-8-6-11-18-13-14/h6-8,10-13H,2-5,9H2,1H3,(H,20,21)/b19-15+
【InChIKey】
InChIKey=CSYPCPMWBSMJDM-XDJHFCHBSA-N
【SMILES】
CCCCCC/C(=N\NC(=O)c1cccnc1)/c2cccs2
【MOL File】
NICOTINIC ACID (ALPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
NICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE.cml