(3-Benzyl-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide

Base Information

• Chemical Name: (3-Benzyl-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide
• CAS No.: 111393-96-5
• Molecular Formula: C10H8N4S
• Molecular Weight: 216.26200
• DSSTox Substance ID: DTXSID30576602

Synonyms:111393-96-5;N-(3-Benzyl-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide;(3-Benzyl-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide;SCHEMBL9724804;DTXSID30576602

Chemical Property of (3-Benzyl-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide

Chemical Property:

• Boiling Point: 352.8±35.0 °C(Predicted)
• PSA: 82.21000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 1.37468
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.04696745
• Heavy Atom Count: 15
• Complexity: 322

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C(=NC#N)SC=N2

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