O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate

C17H24F2O2S2Si — CID 15863567

IUPACO-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
SMILESCCOC(=S)SC(CCC(=O)c1ccc(F)cc1F)C[Si](C)(C)C
InChIInChI=1S/C17H24F2O2S2Si/c1-5-21-17(22)23-13(11-24(2,3)4)7-9-16(20)14-8-6-12(18)10-15(14)19/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyFYCZEZHENLGODM-UHFFFAOYSA-N
MW390.59 g/mol
LogP5.69
Rot. Bonds8

About O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate

O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate (PubChem CID 15863567) has the molecular formula C17H24F2O2S2Si and a molecular weight of 390.59 g/mol. Its IUPAC name is O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
PubChem CID15863567
Molecular FormulaC17H24F2O2S2Si
Molecular Weight390.59 g/mol
Exact Mass390.10
IUPAC NameO-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
SMILESCCOC(=S)SC(CCC(=O)c1ccc(F)cc1F)C[Si](C)(C)C
InChIInChI=1S/C17H24F2O2S2Si/c1-5-21-17(22)23-13(11-24(2,3)4)7-9-16(20)14-8-6-12(18)10-15(14)19/h6,8,10,13H,5,7,9,11H2,1-4H3
InChIKeyFYCZEZHENLGODM-UHFFFAOYSA-N
XLogP5.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-acetamido-2-[5-(2,4-difluorophenyl)-2-ethoxycarbothioylsulfanyl-5-oxopentyl]propanedioate
CID 11813470
ethyl 4-(2,4-difluorophenyl)-2,4-dioxobutanoate
CID 603034
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
methyl (Z)-5-ethoxycarbothioylsulfanyl-6-trimethylsilylhex-2-enoate
CID 122367505
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
O-ethyl [1-(4-bromophenyl)-1-oxodecan-4-yl]sulfanylmethanethioate
CID 11339433
ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
CID 72579109
1-O-ethyl 3-O-methyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate
CID 121307550
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170

Frequently Asked Questions

What is the IUPAC name of O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The IUPAC name of O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate (CID 15863567) is O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate.
What is the SMILES notation for O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The canonical SMILES for O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate is CCOC(=S)SC(CCC(=O)c1ccc(F)cc1F)C[Si](C)(C)C.
What is the InChIKey of O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
The InChIKey is FYCZEZHENLGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2S2Si/c1-5-21-17(22)23-13(11-24(2,3)4)7-9-16(20)14-8-6-12(18)10-15(14)19/h6,8,10,13H,5,7,9,11H2,1-4H3.
What are the key properties of O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate?
O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate has a molecular weight of 390.59 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl [5-(2,4-difluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate is sourced from PubChem (CID 15863567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).