97018-82-1
ISONICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
NameISONICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
1Identification
【Name】
ISONICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE
【CAS】
【MDL】
MFCD01717796
【English Synonyms】
【Formula】
C17 H21 N3 O S
【MolWeight】
315.439
【Inchi】
InChI=1S/C17H21N3OS/c1-2-3-4-5-7-15(16-8-6-13-22-16)19-20-17(21)14-9-11-18-12-10-14/h6,8-13H,2-5,7H2,1H3,(H,20,21)/b19-15-
【InChIKey】
InChIKey=FMURNPCFJXPCBB-CYVLTUHYSA-N
【SMILES】
CCCCCC/C(=N/NC(=O)c1ccncc1)/c2cccs2
【MOL File】
ISONICOTINIC ACID (A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISONICOTINIC ACID (ALPHA-HEXYL-2-THENYLIDENE)HYDRAZIDE.cml