51308-79-3
S-((4-BROMOPHENYL)METHYL) O-BUTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
NameS-((4-BROMOPHENYL)METHYL) O-BUTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
1Identification
【Name】
S-((4-BROMOPHENYL)METHYL) O-BUTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
【CAS】
【MDL】
MFCD01937744
【English Synonyms】
【Formula】
C17 H19 Br N2 O S
【MolWeight】
379.32
【Inchi】
InChI=1S/C17H19BrN2OS/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=ZACWSDGETFFIOX-LVZFUZTISA-N
【SMILES】
CCCCO/C(=N\c1cccnc1)/SCc2ccc(cc2)Br
【MOL File】
S-((4-BROMOPHENYL)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-((4-BROMOPHENYL)METHYL) O-BUTYL-3-PYRIDINYLCARBONIMIDOTHIOATE.cml