1049706-78-6
3-bromo-5-isothiocyanato-6-methyl-2-(4-methylpentyloxy)pyridine
Name3-bromo-5-isothiocyanato-6-methyl-2-(4-methylpentyloxy)pyridine
1Identification
【Name】
3-bromo-5-isothiocyanato-6-methyl-2-(4-methylpentyloxy)pyridine
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H17BrN2OS
【MolWeight】
329.256
【Inchi】
InChI=1S/C13H17BrN2OS/c1-9(2)5-4-6-17-13-11(14)7-12(15-8-18)10(3)16-13/h7,9H,4-6H2,1-3H3
【InChIKey】
InChIKey=BQNFATYMZAVFHD-UHFFFAOYSA-N
【SMILES】
BrC=1C(=NC(=C(C1)N=C=S)C)OCCCC(C)C
【MOL File】
3-bromo-5-isothiocya….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
3-bromo-5-isothiocyanato-6-methyl-2-(4-methylpentyloxy)pyridine.cml