3-Ethyl-6-methoxy-5-methyl-2-(2-(methylthio)but-1-enyl)benzothiazolium iodide

Base Information

• Chemical Name: 3-Ethyl-6-methoxy-5-methyl-2-(2-(methylthio)but-1-enyl)benzothiazolium iodide
• CAS No.: 63816-01-3
• Molecular Formula: C16H22 N O S2 . I
• Molecular Weight: 435.3865
• European Community (EC) Number: 264-485-2
• DSSTox Substance ID: DTXSID20886323
• Mol file: 63816-01-3.mol

Synonyms:63816-01-3;Benzothiazolium, 3-ethyl-6-methoxy-5-methyl-2-(2-(methylthio)-1-butenyl)-, iodide;Benzothiazolium, 3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)-1-butenyl]-, iodide;Benzothiazolium, 3-ethyl-6-methoxy-5-methyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1);Benzothiazolium, 3-ethyl-6-methoxy-5-methyl-2-[2-(methylthio)-1-buten-1-yl]-, iodide (1:1);3-Ethyl-6-methoxy-5-methyl-2-(2-(methylthio)but-1-enyl)benzothiazolium iodide;DTXSID20886323;EINECS 264-485-2

Chemical Property of 3-Ethyl-6-methoxy-5-methyl-2-(2-(methylthio)but-1-enyl)benzothiazolium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 81.94000
• Density: g/cm³
• LogP: 2.32290
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 435.01875
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC1=[N+](C2=C(S1)C=C(C(=C2)C)OC)CC)SC.[I-]