51308-76-0
BIS((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-3-PYRIDINYLCARBONIMIDODITHIOATE
NameBIS((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-3-PYRIDINYLCARBONIMIDODITHIOATE
1Identification
【Name】
BIS((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937708
【English Synonyms】
【Formula】
C28 H34 N2 S2
【MolWeight】
462.723
【Inchi】
InChI=1S/C28H34N2S2/c1-27(2,3)23-13-9-21(10-14-23)19-31-26(30-25-8-7-17-29-18-25)32-20-22-11-15-24(16-12-22)28(4,5)6/h7-18H,19-20H2,1-6H3
【InChIKey】
InChIKey=GISDUSGEAJOMEC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)CSC(=Nc2cccnc2)SCc3ccc(cc3)C(C)(C)C
【MOL File】
BIS((4-(1,1-DIMETHYL….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
BIS((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL)-3-PYRIDINYLCARBONIMIDODITHIOATE.cml