Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 42379-68-0
• Molecular Formula: C18H21NO4S2
• Molecular Weight: 379.49364
• Hs Code.: 2934999090
• European Community (EC) Number: 255-788-0
• DSSTox Substance ID: DTXSID7068390
• Mol file: 42379-68-0.mol

Synonyms:42379-68-0;Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1);3-Ethyl-5-methoxy-2-methylbenzothiazolium p-toluenesulfonate;EINECS 255-788-0;3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate;3-Ethyl-5-methoxy-2-methylbenzothiazolium p-toluenesulphonate;Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, 4-methylbenzenesulfonate (1:1);SCHEMBL8007784;C11H14NOS.C7H7O3S;DTXSID7068390;2-methyl-3-ethyl-5-methoxybenzothiazolium tosylate;5-methoxy-3-ethyl-2-methylbenzothiazolium p-toluenesulfonate;3-Ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

Chemical Property of Benzothiazolium, 3-ethyl-5-methoxy-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 106.93000
• Density: g/cm³
• LogP: 4.50560
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 379.09120050
• Heavy Atom Count: 25
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=C1C=C(C=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]