47070-04-2
3,6-DIMETHYL-2-(4-DIMETHYLAMINOPHENYL)BENZOTHIAZOLIUM BROMIDE
Name3,6-DIMETHYL-2-(4-DIMETHYLAMINOPHENYL)BENZOTHIAZOLIUM BROMIDE
1Identification
【Name】
3,6-DIMETHYL-2-(4-DIMETHYLAMINOPHENYL)BENZOTHIAZOLIUM BROMIDE
【CAS】
【MDL】
MFCD00012076
【English Synonyms】
【Formula】
C17 H19 N2 S . Br
【MolWeight】
363.321
【Inchi】
InChI=1S/C17H19N2S.BrH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WMPDQLXFSCRILT-UHFFFAOYSA-M
【SMILES】
Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C.[Br-]
【MOL File】
3,6-DIMETHYL-2-(4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHYL-2-(4-DIMETHYLAMINOPHENYL)BENZOTHIAZOLIUM BROMIDE.cml