4-[2-[[4-Cyclopropyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile

Base Information

• Chemical Name: 4-[2-[[4-Cyclopropyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile
• CAS No.: 710279-69-9
• Molecular Formula: C17H14 N6 O S2
• Molecular Weight: 382.46266
• DSSTox Substance ID: DTXSID40384639
• Wikidata: Q82176917
• ChEMBL ID: CHEMBL1447937
• Mol file: 710279-69-9.mol

Synonyms:710279-69-9;4-[2-[[4-cyclopropyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile;4-(2-{[4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile;MLS000860636;CHEMBL1447937;DTXSID40384639;HMS2791O22;AG-G-77895;SMR000458720

Chemical Property of 4-[2-[[4-Cyclopropyl-5-(4-methylthiadiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile

Chemical Property:

• PSA: 150.89000
• LogP: 3.28658
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 382.06705144
• Heavy Atom Count: 26
• Complexity: 571

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SN=N1)C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)C#N

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