104208-50-6
3-ALLYL-2-METHOXYCARBONYLMETHYLTHIOBENZOTHIAZOLIUMBROMIDE
Name3-ALLYL-2-METHOXYCARBONYLMETHYLTHIOBENZOTHIAZOLIUMBROMIDE
FormulaC13 H14 N O2 S2 . Br
1Identification
【Name】
3-ALLYL-2-METHOXYCARBONYLMETHYLTHIOBENZOTHIAZOLIUMBROMIDE
【CAS】
【MDL】
MFCD01074812
【English Synonyms】
【Formula】
C13 H14 N O2 S2 . Br
【MolWeight】
360.295
【Inchi】
InChI=1S/C13H14NO2S2.BrH/c1-3-8-14-10-6-4-5-7-11(10)18-13(14)17-9-12(15)16-2;/h3-7H,1,8-9H2,2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=ZUZLXOPHAARTTK-UHFFFAOYSA-M
【SMILES】
COC(=O)CSc1[n+](c2ccccc2s1)CC=C.[Br-]
【MOL File】
3-ALLYL-2-METHOXYCAR….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
3-ALLYL-2-METHOXYCARBONYLMETHYLTHIOBENZOTHIAZOLIUMBROMIDE.cml