5H-Tetrazole-5-thione, 1,2-dihydro-1-(2-methyl-6-benzothiazolyl)-

Base Information

• Chemical Name: 5H-Tetrazole-5-thione, 1,2-dihydro-1-(2-methyl-6-benzothiazolyl)-
• CAS No.: 56813-41-3
• Molecular Formula: C₉H₇N₅S₂
• Molecular Weight: 249.32
• DSSTox Substance ID: DTXSID80481393

Synonyms:56813-41-3;5H-Tetrazole-5-thione, 1,2-dihydro-1-(2-methyl-6-benzothiazolyl)-;DTXSID80481393

Chemical Property of 5H-Tetrazole-5-thione, 1,2-dihydro-1-(2-methyl-6-benzothiazolyl)-

Chemical Property:

• PSA: 123.53000
• LogP: 1.86910
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 249.01428759
• Heavy Atom Count: 16
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)C=C(C=C2)N3C(=S)N=NN3

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