3-[5-(1,3-Thiazol-2-yl)tetrazol-2-yl]benzonitrile

Base Information

• Chemical Name: 3-[5-(1,3-Thiazol-2-yl)tetrazol-2-yl]benzonitrile
• CAS No.: 507268-43-1
• Molecular Formula: C11H6N6S
• Molecular Weight: 254.27100
• DSSTox Substance ID: DTXSID40431495
• Wikidata: Q82245400
• ChEMBL ID: CHEMBL186757
• Mol file: 507268-43-1.mol

Synonyms:CHEMBL186757;3-[5-(1,3-thiazol-2-yl)tetrazol-2-yl]benzonitrile;507268-43-1;SCHEMBL4699591;DTXSID40431495;BDBM50155003;3-(5-Thiazol-2-yl-tetrazol-2-yl)-benzonitrile

Chemical Property of 3-[5-(1,3-Thiazol-2-yl)tetrazol-2-yl]benzonitrile

Chemical Property:

• PSA: 108.52000
• LogP: 1.65748
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 254.03746539
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2N=C(N=N2)C3=NC=CS3)C#N

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