63149-16-6
5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE
Name5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE
FormulaC10 H11 Cl N S . C7 H7 O3 S
1Identification
【Name】
5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE
【CAS】
【MDL】
MFCD00143454
【English Synonyms】
【Formula】
C10 H11 Cl N S . C7 H7 O3 S
【MolWeight】
383.918
【Inchi】
InChI=1S/C10H11ClNS.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
【InChIKey】
InChIKey=GYXTWUJZURSNCF-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(sc2c1cc(cc2)Cl)C.Cc1ccc(cc1)S(=O)(=O)[O-]
【MOL File】
5-CHLORO-3-ETHYL-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE.cml