51308-60-2
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL HEPTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
Name(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL HEPTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
1Identification
【Name】
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL HEPTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937736
【English Synonyms】
【Formula】
C24 H34 N2 S2
【MolWeight】
414.679
【Inchi】
InChI=1S/C24H34N2S2/c1-5-6-7-8-9-17-27-23(26-22-11-10-16-25-18-22)28-19-20-12-14-21(15-13-20)24(2,3)4/h10-16,18H,5-9,17,19H2,1-4H3/b26-23+
【InChIKey】
InChIKey=QXLFSSLRUHROKZ-WNAAXNPUSA-N
【SMILES】
CCCCCCCS/C(=N\c1cccnc1)/SCc2ccc(cc2)C(C)(C)C
【MOL File】
(4-(1,1-DIMETHYLETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL HEPTYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml