51379-04-5
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL PENTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
Name(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL PENTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
1Identification
【Name】
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL PENTYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937740
【English Synonyms】
【Formula】
C22 H30 N2 S2
【MolWeight】
386.625
【Inchi】
InChI=1S/C22H30N2S2/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=OYNHJZKJGWQTLZ-DARPEHSRSA-N
【SMILES】
CCCCCS/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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-(1,1-DIMETHYLETHYL)PHENYL)METHYL PENTYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml