Text Search
Structure Search

4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

CAS: 477766-87-3

Formula: C19H13FN2O3S2

SMILES: FC1=CC=C(C=C2SC(=S)N(N3C(=O)C4C5CC(C=C5)C4C3=O)C2=O)C=C1

IUPAC: 4-{5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C19H13FN2O3S2/c20-12-5-1-9(2-6-12)7-13-16(23)22(19(26)27-13)21-17(24)14-10-3-4-11(8-10)15(14)18(21)25/h1-7,10-11,14-15H,8H2

Composition: C (56.99%), H (3.27%), F (4.74%), N (7.00%), O (11.99%), S (16.01%)

Molar Mass: 400.44

Atom Count: 40

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 400.035162798
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZTIBWFMJEMTBIF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.47
Topological Polar Surface Area 57.69
Polarizability 39.63
Ring Count 5
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477766-87-3 $51.35-$86.31$51.35$63.37$86.31
Request Quote