41643-23-6
(4-CHLOROPHENYL)METHYL HEXADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
Name(4-CHLOROPHENYL)METHYL HEXADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
pro_formulaC29 H43 Cl N2 S2
1Identification
【Name】
(4-CHLOROPHENYL)METHYL HEXADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE
【CAS】
【MDL】
MFCD01937720
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H43 Cl N2 S2
【pro_molWeight】
519.258
【Inchi】
InChI=1S/C29H43ClN2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-29(32-28-17-16-22-31-24-28)34-25-26-18-20-27(30)21-19-26/h16-22,24H,2-15,23,25H2,1H3/b32-29+
【InChIKey】
InChIKey=SMBQOMVLVRHGEJ-UUDCSCGESA-N
【SMILES】
CCCCCCCCCCCCCCCCS/C(=N\c1cccnc1)/SCc2ccc(cc2)Cl
【MOL File】
(4-CHLOROPHENYL)METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:11.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(4-CHLOROPHENYL)METHYL HEXADECYL-3-PYRIDINYLCARBONIMIDODITHIOATE.cml