3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone

C6H12F2OS2Si — CID 174136105

IUPAC3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone
SMILESCSC(=O)SCCC[Si](C)(F)F
InChIInChI=1S/C6H12F2OS2Si/c1-10-6(9)11-4-3-5-12(2,7)8/h3-5H2,1-2H3
InChIKeyJPCFWFUMKYKRMM-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.60
Rot. Bonds4

About 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone

3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone (PubChem CID 174136105) has the molecular formula C6H12F2OS2Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone.

Molecular Properties

Compound Name3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone
PubChem CID174136105
Molecular FormulaC6H12F2OS2Si
Molecular Weight230.38 g/mol
Exact Mass230.01
IUPAC Name3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone
SMILESCSC(=O)SCCC[Si](C)(F)F
InChIInChI=1S/C6H12F2OS2Si/c1-10-6(9)11-4-3-5-12(2,7)8/h3-5H2,1-2H3
InChIKeyJPCFWFUMKYKRMM-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-(3-trimethylsilylpropyl) ethanethioate
CID 58554711
S-(3-trifluorosilylpropyl) N-methylcarbamothioate
CID 174136019
difluoro-methyl-(3-methylsulfonylpropyl)silane
CID 153445078
butylsulfanyl(propylsulfanyl)methanone
CID 101135926
S-(3-trimethoxysilylpropyl) butanethioate
CID 86045035
S-methyl 3-aminosulfanylpropanethioate
CID 174803566
3-[difluoro(methyl)silyl]propyl benzoate
CID 174136195
S-[3-[ethoxy(dimethyl)silyl]propyl] octanethioate
CID 58534629
S-(3-triethoxysilylpropyl) pentanethioate
CID 86045286
bis(propylsulfanyl)methanone
CID 536266
S-[3-[ethoxy(dimethyl)silyl]propyl] benzenecarbothioate
CID 59365618
3-[difluoro(methyl)silyl]propyl methyl sulfite
CID 174136136

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone?
The IUPAC name of 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone (CID 174136105) is 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone.
What is the SMILES notation for 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone?
The canonical SMILES for 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone is CSC(=O)SCCC[Si](C)(F)F.
What is the InChIKey of 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone?
The InChIKey is JPCFWFUMKYKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2OS2Si/c1-10-6(9)11-4-3-5-12(2,7)8/h3-5H2,1-2H3.
What are the key properties of 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone?
3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone has a molecular weight of 230.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methyl)silyl]propylsulfanyl-methylsulfanylmethanone is sourced from PubChem (CID 174136105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).