AC1LPF9S
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: 5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-3-phenyl-1,3,4-thiadiazole-2(3H)-thione|1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone|1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone|1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-((4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)ethanone|1-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-2-[(4-PHENYL-5-THIOXO-4,5-DIHYDRO-1,3,4-THIADIAZOL-2-YL)SULFANYL]-1-ETHANONE|2-(3-phenyl-2-thioxo(1,3,4-thiadiazolin-5-ylthio))-1-(2-1,2,3,4-tetrahydroisoq uinolyl)ethan-1-one
| Molecular Formula | C19H17N3OS3 |
|---|---|
| Molecular Weight | 399.05338 g/mol |
| LogP | 4.34029 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.05338 |
| Monoisotopic Mass | 399.05338 |
| Heavy Atoms | 26 |
| Complexity | 980.94934 |
Chemical Identifiers
| CAS Number | 522652-63-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN(C(=S)S3)C4=CC=CC=C4 |
Product Overview
AC1LPF9S (CAS 522652-63-7), with molecular formula C19H17N3OS3 and molecular weight 399.05338 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.