51308-80-6
(4-BROMOPHENYL)METHYL BUTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
Name(4-BROMOPHENYL)METHYL BUTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
1Identification
【Name】
(4-BROMOPHENYL)METHYL BUTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937710
【English Synonyms】
【Formula】
C17 H19 Br N2 S2
【MolWeight】
395.387
【Inchi】
InChI=1S/C17H19BrN2S2/c1-2-3-11-21-17(20-16-5-4-10-19-12-16)22-13-14-6-8-15(18)9-7-14/h4-10,12H,2-3,11,13H2,1H3/b20-17+
【InChIKey】
InChIKey=IHTVTQGKMVASKX-LVZFUZTISA-N
【SMILES】
CCCCS/C(=N\c1cccnc1)/SCc2ccc(cc2)Br
【MOL File】
(4-BROMOPHENYL)METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-BROMOPHENYL)METHYL BUTYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml