51308-71-5
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-OCTYL 3-PYRIDINYLCARBONIMIDOTHIOATE
NameS-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-OCTYL 3-PYRIDINYLCARBONIMIDOTHIOATE
1Identification
【Name】
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-OCTYL 3-PYRIDINYLCARBONIMIDOTHIOATE
【CAS】
【MDL】
MFCD01937765
【English Synonyms】
【Formula】
C25 H36 N2 O S
【MolWeight】
412.638
【Inchi】
InChI=1S/C25H36N2OS/c1-5-6-7-8-9-10-18-28-24(27-23-12-11-17-26-19-23)29-20-21-13-15-22(16-14-21)25(2,3)4/h11-17,19H,5-10,18,20H2,1-4H3/b27-24+
【InChIKey】
InChIKey=ZOLBUXWPZWEAGA-SOYKGTTHSA-N
【SMILES】
CCCCCCCCO/C(=N\c1cccnc1)/SCc2ccc(cc2)C(C)(C)C
【MOL File】
S-((4-(1,1-DIMETHYLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-OCTYL 3-PYRIDINYLCARBONIMIDOTHIOATE.cml