51308-67-9
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-PENTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
NameS-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-PENTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
1Identification
【Name】
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-PENTYL-3-PYRIDINYLCARBONIMIDOTHIOATE
【CAS】
【MDL】
MFCD01937766
【English Synonyms】
【Formula】
C22 H30 N2 O S
【MolWeight】
370.558
【Inchi】
InChI=1S/C22H30N2OS/c1-5-6-7-15-25-21(24-20-9-8-14-23-16-20)26-17-18-10-12-19(13-11-18)22(2,3)4/h8-14,16H,5-7,15,17H2,1-4H3/b24-21+
【InChIKey】
InChIKey=MNZUCHAZILKUPL-DARPEHSRSA-N
【SMILES】
CCCCCO/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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-PENTYL-3-PYRIDINYLCARBONIMIDOTHIOATE.cml