51308-64-6
O-BUTYL S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) 3-PYRIDINYLCARBONIMIDOTHIOATE
NameO-BUTYL S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) 3-PYRIDINYLCARBONIMIDOTHIOATE
1Identification
【Name】
O-BUTYL S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) 3-PYRIDINYLCARBONIMIDOTHIOATE
【CAS】
【MDL】
MFCD01937746
【English Synonyms】
【Formula】
C21 H28 N2 O S
【MolWeight】
356.531
【Inchi】
InChI=1S/C21H28N2OS/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+
【InChIKey】
InChIKey=UOWVNDXYGYHTOF-BSYVCWPDSA-N
【SMILES】
CCCCO/C(=N\c1cccnc1)/SCc2ccc(cc2)C(C)(C)C
【MOL File】
O-BUTYL S-((4-(1,1-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
O-BUTYL S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) 3-PYRIDINYLCARBONIMIDOTHIOATE.cml