76621-78-8
(2-METHYL-5-METHYLSULFANYL-OXAZOL-4-YL)-TRIPHENYL-PHOSPHONIUM, IODIDE
Name(2-METHYL-5-METHYLSULFANYL-OXAZOL-4-YL)-TRIPHENYL-PHOSPHONIUM, IODIDE
FormulaC23 H21 N O P S . I
1Identification
【Name】
(2-METHYL-5-METHYLSULFANYL-OXAZOL-4-YL)-TRIPHENYL-PHOSPHONIUM, IODIDE
【CAS】
【MDL】
MFCD00186472
【English Synonyms】
【Formula】
C23 H21 N O P S . I
【MolWeight】
517.365
【Inchi】
InChI=1S/C23H21NOPS.HI/c1-18-24-22(23(25-18)27-2)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=GLCVTOPFTXUHHF-UHFFFAOYSA-M
【SMILES】
Cc1nc(c(o1)SC)[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[I-]
【MOL File】
(2-METHYL-5-METHYLSU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-METHYL-5-METHYLSULFANYL-OXAZOL-4-YL)-TRIPHENYL-PHOSPHONIUM, IODIDE.cml