2H-Pyrrole-4-carboxamide, 4-cyano-3,4-dihydro-5-(methylthio)-

Base Information

• Chemical Name: 2H-Pyrrole-4-carboxamide, 4-cyano-3,4-dihydro-5-(methylthio)-
• CAS No.: 61254-36-2
• Molecular Formula: C7H9N3OS
• Molecular Weight: 183.23100
• DSSTox Substance ID: DTXSID70456550
• Nikkaji Number: J1.179.720B

Synonyms:61254-36-2;2H-Pyrrole-4-carboxamide, 4-cyano-3,4-dihydro-5-(methylthio)-;DTXSID70456550;2-(Methylthio)-3-cyano-1-pyrroline-3-carboxamide

Chemical Property of 2H-Pyrrole-4-carboxamide, 4-cyano-3,4-dihydro-5-(methylthio)-

Chemical Property:

• PSA: 105.53000
• LogP: 0.73218
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.04663309
• Heavy Atom Count: 12
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NCCC1(C#N)C(=O)N

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