4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine

• CAS: 54346-19-9
• Catalog Number: ACM54346199
• Category: Other Products
• Molecular Weight: 200.65g/mol
• Molecular Formula: C6H5ClN4S
• Synonyms: 4-CHLORO-2-METHYLTHIOPYRAZOLO[1,5-A]1,3,5-TRIAZINE
• IUPAC Name: 4-chloro-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
• Canonical SMILES: CSC1=NC2=CC=NN2C(=N1)Cl
• InChI: InChI=1S/C6H5ClN4S/c1-12-6-9-4-2-3-8-11(4)5(7)10-6/h2-3H,1H3
• InChI Key: PDFYLKPBYWPEDQ-UHFFFAOYSA-N
• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Exact Mass: 199.992345g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 199.992345g/mol
• Rotatable Bond Count: 1
• XLogP3: 1.9