51308-78-2
S-((4-CHLOROPHENYL)METHYL) O-(2-METHYLPROPYL)-3-PYRIDINYLCARBONIMIDOTHIOATE
NameS-((4-CHLOROPHENYL)METHYL) O-(2-METHYLPROPYL)-3-PYRIDINYLCARBONIMIDOTHIOATE
1Identification
【Name】
S-((4-CHLOROPHENYL)METHYL) O-(2-METHYLPROPYL)-3-PYRIDINYLCARBONIMIDOTHIOATE
【CAS】
【MDL】
MFCD01937749
【English Synonyms】
【Formula】
C17 H19 Cl N2 O S
【MolWeight】
334.869
【Inchi】
InChI=1S/C17H19ClN2OS/c1-13(2)11-21-17(20-16-4-3-9-19-10-16)22-12-14-5-7-15(18)8-6-14/h3-10,13H,11-12H2,1-2H3/b20-17+
【InChIKey】
InChIKey=PGBWGCNMPYFDCV-LVZFUZTISA-N
【SMILES】
CC(C)CO/C(=N\c1cccnc1)/SCc2ccc(cc2)Cl
【MOL File】
S-((4-CHLOROPHENYL)M….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-CHLOROPHENYL)METHYL) O-(2-METHYLPROPYL)-3-PYRIDINYLCARBONIMIDOTHIOATE.cml