AC1MX7RE
S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate
Also Known As: KS-00003DE7|7N-704|S-(1,3-benzothiazol-2-yl) 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-3-pyridinecarbothioate|(1,3-benzothiazol-2-ylsulfanyl)({2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridin-3-yl})methanone|S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate|Benzothiazol-2-ylsulfanyl-[2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridin-3-yl]methanone
| Molecular Formula | C17H11F3N2OS3 |
|---|---|
| Molecular Weight | 411.99857 g/mol |
| LogP | 6.1836 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.99857 |
| Monoisotopic Mass | 411.99857 |
| Heavy Atoms | 26 |
| Complexity | 937.55133 |
Chemical Identifiers
| CAS Number | 339019-95-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F |
Product Overview
AC1MX7RE (CAS 339019-95-3), with molecular formula C17H11F3N2OS3 and molecular weight 411.99857 g/mol. IUPAC: S-(1,3-benzothiazol-2-yl) 2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbothioate.
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