76328-38-6
2-METHYL-3-ETHYL-6-METHOXY BENZOTHIAZOLIUM IODIDE
Name2-METHYL-3-ETHYL-6-METHOXY BENZOTHIAZOLIUM IODIDE
1Identification
【Name】
2-METHYL-3-ETHYL-6-METHOXY BENZOTHIAZOLIUM IODIDE
【CAS】
【MDL】
MFCD00044150
【English Synonyms】
【Formula】
C11 H14 N O S . I
【MolWeight】
335.204
【Inchi】
InChI=1S/C11H14NOS.HI/c1-4-12-8(2)14-11-7-9(13-3)5-6-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=NMJOSVDNYMJWNS-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(sc2c1ccc(c2)OC)C.[I-]
【MOL File】
2-METHYL-3-ETHYL-6-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-3-ETHYL-6-METHOXY BENZOTHIAZOLIUM IODIDE.cml