104208-36-8
2-METHOXYCARBONYLMETHYLTHIO-3-METHYLBENZOTHIAZOLIUM BROMIDE
Name2-METHOXYCARBONYLMETHYLTHIO-3-METHYLBENZOTHIAZOLIUM BROMIDE
FormulaC11 H12 N O2 S2 . Br
1Identification
【Name】
2-METHOXYCARBONYLMETHYLTHIO-3-METHYLBENZOTHIAZOLIUM BROMIDE
【CAS】
【MDL】
MFCD01074870
【English Synonyms】
【Formula】
C11 H12 N O2 S2 . Br
【MolWeight】
334.257
【Inchi】
InChI=1S/C11H12NO2S2.BrH/c1-12-8-5-3-4-6-9(8)16-11(12)15-7-10(13)14-2;/h3-6H,7H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=BDUPCRKZQRVPHH-UHFFFAOYSA-M
【SMILES】
C[n+]1c2ccccc2sc1SCC(=O)OC.[Br-]
【MOL File】
2-METHOXYCARBONYLMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXYCARBONYLMETHYLTHIO-3-METHYLBENZOTHIAZOLIUM BROMIDE.cml