5819-61-4
ALPHA-(METHYLSULFINYL)-4-(OCTYLOXY)-M-TOLUIDINE
NameALPHA-(METHYLSULFINYL)-4-(OCTYLOXY)-M-TOLUIDINE
1Identification
【Name】
ALPHA-(METHYLSULFINYL)-4-(OCTYLOXY)-M-TOLUIDINE
【CAS】
【MDL】
MFCD01679480
【English Synonyms】
【Formula】
C16 H27 N O2 S
【MolWeight】
297.46
【Inchi】
InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-11-19-16-10-9-15(17)12-14(16)13-20(2)18/h9-10,12H,3-8,11,13,17H2,1-2H3
【InChIKey】
InChIKey=JYPBDKXGXTWJTH-UHFFFAOYSA-N
【SMILES】
CCCCCCCCOc1ccc(cc1CS(=O)C)N
【MOL File】
ALPHA-(METHYLSULFINY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA-(METHYLSULFINYL)-4-(OCTYLOXY)-M-TOLUIDINE.cml