4-(5-cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide

Base Information

• Chemical Name: 4-(5-cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide
• CAS No.: 519056-55-4
• Molecular Formula: C13H17N5S
• Molecular Weight: 275.37
• DSSTox Substance ID: DTXSID70372640
• Wikidata: Q82160460
• Mol file: 519056-55-4.mol

Synonyms:4-(5-cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide;519056-55-4;Maybridge1_008927;HMS566N17;Oprea1_756355;DTXSID70372640;CCG-255242;FT-0710813

Chemical Property of 4-(5-cyanopyridin-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide

Chemical Property:

• Vapor Pressure: 6.08E-09mmHg at 25°C
• Melting Point: 183 °C
• Refractive Index: 1.646
• Boiling Point: 468.2°C at 760 mmHg
• Flash Point: 237°C
• PSA: 87.28000
• Density: 1.28g/cm³
• LogP: 1.36348
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 275.12046674
• Heavy Atom Count: 19
• Complexity: 363

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C#N

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