42754-23-4
CYCLOHEXYL 4-(1,1-(DIMETHYLETHYL)PHENYL)METHYL-3-PYRIDINYLCARBONIMIDODITHIOATE
NameCYCLOHEXYL 4-(1,1-(DIMETHYLETHYL)PHENYL)METHYL-3-PYRIDINYLCARBONIMIDODITHIOATE
1Identification
【Name】
CYCLOHEXYL 4-(1,1-(DIMETHYLETHYL)PHENYL)METHYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937728
【English Synonyms】
【Formula】
C23 H30 N2 S2
【MolWeight】
398.636
【Inchi】
InChI=1S/C23H30N2S2/c1-23(2,3)19-13-11-18(12-14-19)17-26-22(25-20-8-7-15-24-16-20)27-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3/b25-22-
【InChIKey】
InChIKey=VMFNOGUKCOPHRG-LVWGJNHUSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)CS/C(=N/c2cccnc2)/SC3CCCCC3
【MOL File】
CYCLOHEXYL 4-(1,1-(D….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
CYCLOHEXYL 4-(1,1-(DIMETHYLETHYL)PHENYL)METHYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml