N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid

Base Information

• Chemical Name: N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid
• CAS No.: 71555-41-4
• Molecular Formula: C₁₄H₂₀N₄S
• Molecular Weight: 276.406
• DSSTox Substance ID: DTXSID90992107
• ChEMBL ID: CHEMBL1717138
• Mol file: 71555-41-4.mol

Synonyms:MLS002703051;SCHEMBL9319961;CHEMBL1717138;DTXSID90992107;HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE;NCI60_002741;SMR001566857;N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid

Chemical Property of N-[1-(Pyridin-2-yl)ethylidene]azepane-1-carbohydrazonothioic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.14086783
• Heavy Atom Count: 19
• Complexity: 321

Purity/Quality:

THIOSEMICARBAZONE H 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2

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