AC1NR9KT
5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00620387|SR-01000407895-1|A1812/0076609|5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile|5-AMINO-3-[(1Z)-1-CYANO-2-[4-(METHYLSULFANYL)PHENYL]ETH-1-EN-1-YL]-1-(2-HYDROXYETHYL)-1H-PYRAZOLE-4-CARBONITRILE|5-amino-3-{(Z)-1-cyano-2-[4-(methylsulfanyl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H15N5OS |
|---|---|
| Molecular Weight | 325.09973 g/mol |
| LogP | 2.11536 |
| Topological Polar Surface Area | 111.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.09973 |
| Monoisotopic Mass | 325.09973 |
| Heavy Atoms | 23 |
| Complexity | 808.72174 |
Chemical Identifiers
| CAS Number | 329686-26-2 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO |
Product Overview
AC1NR9KT (CAS 329686-26-2), with molecular formula C16H15N5OS and molecular weight 325.09973 g/mol. IUPAC: 5-amino-3-[(Z)-1-cyano-2-(4-methylsulfanylphenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
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