3-Methyl-1,3-benzothiazol-3-ium

Base Information

• Chemical Name: 3-Methyl-1,3-benzothiazol-3-ium
• CAS No.: 697-66-5
• Molecular Formula: C₈H₈NS
• Molecular Weight: 150.224
• DSSTox Substance ID: DTXSID40274728
• Nikkaji Number: J221.616G,J1.656.719A
• Wikidata: Q82004164
• ChEMBL ID: CHEMBL415702

Synonyms:3-methyl-1,3-benzothiazol-3-ium;697-66-5;3-Methylbenzothiazol-3-ium;CHEMBL415702;SCHEMBL2271462;DTXSID40274728;3-Methyl-2,3-dihydrobenzothiazole-2-ylium

Chemical Property of 3-Methyl-1,3-benzothiazol-3-ium

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.03774543
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CSC2=CC=CC=C21

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