16622-21-2
3-METHYL-2-(PHENYLMETHYL)BENZOTHIAZOLIUMIODIDE
Name3-METHYL-2-(PHENYLMETHYL)BENZOTHIAZOLIUMIODIDE
1Identification
【Name】
3-METHYL-2-(PHENYLMETHYL)BENZOTHIAZOLIUMIODIDE
【CAS】
【MDL】
MFCD00978274
【English Synonyms】
【Formula】
C15 H14 N S . I
【MolWeight】
367.249
【Inchi】
InChI=1S/C15H14NS.HI/c1-16-13-9-5-6-10-14(13)17-15(16)11-12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=CPUOVEUALXBVDP-UHFFFAOYSA-M
【SMILES】
C[n+]1c2ccccc2sc1Cc3ccccc3.[I-]
【MOL File】
3-METHYL-2-(PHENYLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-2-(PHENYLMETHYL)BENZOTHIAZOLIUMIODIDE.cml