5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one

C39H42F6N2O8P2S4 — CID 159883092

About 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one

5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one (PubChem CID 159883092) has the molecular formula C39H42F6N2O8P2S4 and a molecular weight of 970.97 g/mol. Its IUPAC name is 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one
• PubChem CID: 159883092
• Molecular Formula: C39H42F6N2O8P2S4
• Molecular Weight: 970.97 g/mol
• Exact Mass: 970.12
• IUPAC Name: 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one
• SMILES: CP(C)(=S)OCC(F)(F)F.Cc1sc(-c2ccccc2)nc1C1=C(O)C(C)(C)OC1=O.Cc1sc(-c2ccccc2)nc1C1=C(OP(C)(=S)OCC(F)(F)F)C(C)(C)OC1=O
• InChI: InChI=1S/C19H19F3NO4PS2.C16H15NO3S.C4H8F3OPS/c1-11-14(23-16(30-11)12-8-6-5-7-9-12)13-15(18(2,3)26-17(13)24)27-28(4,29)25-10-19(20,21)22;1-9-12(11-13(18)16(2,3)20-15(11)19)17-14(21-9)10-7-5-4-6-8-10;1-9(2,10)8-3-4(5,6)7/h5-9H,10H2,1-4H3;4-8,18H,1-3H3;3H2,1-2H3
• InChIKey: NTTXSOYFDIKICZ-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 126.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.97
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one?

The IUPAC name of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one (CID 159883092) is 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one.

What is the SMILES notation for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one?

The canonical SMILES for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one is CP(C)(=S)OCC(F)(F)F.Cc1sc(-c2ccccc2)nc1C1=C(O)C(C)(C)OC1=O.Cc1sc(-c2ccccc2)nc1C1=C(OP(C)(=S)OCC(F)(F)F)C(C)(C)OC1=O.

What is the InChIKey of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one?

The InChIKey is NTTXSOYFDIKICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3NO4PS2.C16H15NO3S.C4H8F3OPS/c1-11-14(23-16(30-11)12-8-6-5-7-9-12)13-15(18(2,3)26-17(13)24)27-28(4,29)25-10-19(20,21)22;1-9-12(11-13(18)16(2,3)20-15(11)19)17-14(21-9)10-7-5-4-6-8-10;1-9(2,10)8-3-4(5,6)7/h5-9H,10H2,1-4H3;4-8,18H,1-3H3;3H2,1-2H3.

What are the key properties of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one?

5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one has a molecular weight of 970.97 g/mol, XLogP of 11.64, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-4-[methyl(2,2,2-trifluoroethoxy)phosphinothioyl]oxyfuran-2-one;dimethyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane;4-hydroxy-5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)furan-2-one is sourced from PubChem (CID 159883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).