Oftanol C structure

Oftanol C

propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

CAS: 74725-95-4
Molecular Formula C24H32Cl3N2O6PS2
Molecular Weight 646.0 g/mol
Topological Polar Surface Area 152.0 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 10
Exact Mass 644.0505
Heavy Atoms 38
Complexity 743.0

Chemical Identifiers

CAS Number 74725-95-4
SMILES CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChIKey OWMVJPNBKLYFCG-UHFFFAOYSA-N

📖 Product Overview

Oftanol C (CAS: 74725-95-4) is a chemical compound with molecular formula C24H32Cl3N2O6PS2 and molecular weight 646.0 g/mol. Its IUPAC systematic name is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 644.0505 Heavy Atoms 38 Complexity 743.0 InChI Key: OWMVJPNBKLYFCG-UHFFFAOYSA-N. SMILES: CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl.

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