5-(Methylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Base Information

• Chemical Name: 5-(Methylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
• CAS No.: 5545-36-8
• Molecular Formula: C₇H₅N₅OS
• Molecular Weight: 207.216
• DSSTox Substance ID: DTXSID70540160
• Wikidata: Q82416065
• Mol file: 5545-36-8.mol

Synonyms:5545-36-8;7-Hydroxy-5-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile;DTXSID70540160;5-(Methylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Chemical Property of 5-(Methylsulfanyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.02148097
• Heavy Atom Count: 14
• Complexity: 440

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=O)N2C(=N1)N=CN2)C#N