314034-58-7
2-(5-BROMO-2-HYDROXYPHENYL)-1-METHYL-2-OXOETHYL DIETHYLDITHIOCARBAMATE
Name2-(5-BROMO-2-HYDROXYPHENYL)-1-METHYL-2-OXOETHYL DIETHYLDITHIOCARBAMATE
FormulaC14 H18 Br N O2 S2
1Identification
【Name】
2-(5-BROMO-2-HYDROXYPHENYL)-1-METHYL-2-OXOETHYL DIETHYLDITHIOCARBAMATE
【CAS】
【MDL】
MFCD00741236
【English Synonyms】
【Formula】
C14 H18 Br N O2 S2
【MolWeight】
376.337
【Inchi】
InChI=1S/C14H18BrNO2S2/c1-4-16(5-2)14(19)20-9(3)13(18)11-8-10(15)6-7-12(11)17/h6-9,17H,4-5H2,1-3H3
【InChIKey】
InChIKey=HVRHCSIDVDSPOZ-UHFFFAOYSA-N
【SMILES】
CCN(CC)C(=S)SC(C)C(=O)c1cc(ccc1O)Br
【MOL File】
2-(5-BROMO-2-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-BROMO-2-HYDROXYPHENYL)-1-METHYL-2-OXOETHYL DIETHYLDITHIOCARBAMATE.cml