31580-45-7
4-METHYL-2-(2-(6-CHLORO-3-METHYL-2(3H)-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-PHENYL THIAZOLINIUM IODIDE
Name4-METHYL-2-(2-(6-CHLORO-3-METHYL-2(3H)-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-PHENYL THIAZOLINIUM IODIDE
FormulaC21 H18 Cl N2 O S . I
1Identification
【Name】
4-METHYL-2-(2-(6-CHLORO-3-METHYL-2(3H)-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-PHENYL THIAZOLINIUM IODIDE
【CAS】
【MDL】
MFCD00143339
【English Synonyms】
【Formula】
C21 H18 Cl N2 O S . I
【MolWeight】
508.805
【Inchi】
InChI=1S/C21H18ClN2OS.HI/c1-15-14-26-21(24(15)17-7-4-3-5-8-17)10-6-9-20-23(2)18-12-11-16(22)13-19(18)25-20;/h3-14H,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=DTISQWUOUTYXRH-UHFFFAOYSA-M
【SMILES】
CC1=CS/C(=C\C=C\c2[n+](c3ccc(cc3o2)Cl)C)/N1c4ccccc4.[I-]
【MOL File】
4-METHYL-2-(2-(6-CHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-(2-(6-CHLORO-3-METHYL-2(3H)-BENZOXAZOLINYLIDENE)-1-PROPENYL)-3-PHENYL THIAZOLINIUM IODIDE.cml