41643-22-5
(4-CHLOROPHENYL)METHYL TETRADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
Name(4-CHLOROPHENYL)METHYL TETRADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
pro_formulaC27 H39 Cl N2 S2
1Identification
【Name】
(4-CHLOROPHENYL)METHYL TETRADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937727
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H39 Cl N2 S2
【pro_molWeight】
491.204
【Inchi】
InChI=1S/C27H39ClN2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-31-27(30-26-15-14-20-29-22-26)32-23-24-16-18-25(28)19-17-24/h14-20,22H,2-13,21,23H2,1H3/b30-27+
【InChIKey】
InChIKey=RLQAVIYIYKYFKZ-KDJFERLWSA-N
【SMILES】
CCCCCCCCCCCCCCS/C(=N\c1cccnc1)/SCc2ccc(cc2)Cl
【MOL File】
(4-CHLOROPHENYL)METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:10.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(4-CHLOROPHENYL)METHYL TETRADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml