S-(3-trimethylsilylpropyl) ethanethioate

C8H18OSSi — CID 58554711

IUPACS-(3-trimethylsilylpropyl) ethanethioate
SMILESCC(=O)SCCC[Si](C)(C)C
InChIInChI=1S/C8H18OSSi/c1-8(9)10-6-5-7-11(2,3)4/h5-7H2,1-4H3
InChIKeyQRGRZPIFTHDQSV-UHFFFAOYSA-N
MW190.38 g/mol
LogP2.99
Rot. Bonds4

About S-(3-trimethylsilylpropyl) ethanethioate

S-(3-trimethylsilylpropyl) ethanethioate (PubChem CID 58554711) has the molecular formula C8H18OSSi and a molecular weight of 190.38 g/mol. Its IUPAC name is S-(3-trimethylsilylpropyl) ethanethioate.

Molecular Properties

Compound NameS-(3-trimethylsilylpropyl) ethanethioate
PubChem CID58554711
Molecular FormulaC8H18OSSi
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC NameS-(3-trimethylsilylpropyl) ethanethioate
SMILESCC(=O)SCCC[Si](C)(C)C
InChIInChI=1S/C8H18OSSi/c1-8(9)10-6-5-7-11(2,3)4/h5-7H2,1-4H3
InChIKeyQRGRZPIFTHDQSV-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(3-trimethylsilylpropyl) ethanethioate?
The IUPAC name of S-(3-trimethylsilylpropyl) ethanethioate (CID 58554711) is S-(3-trimethylsilylpropyl) ethanethioate.
What is the SMILES notation for S-(3-trimethylsilylpropyl) ethanethioate?
The canonical SMILES for S-(3-trimethylsilylpropyl) ethanethioate is CC(=O)SCCC[Si](C)(C)C.
What is the InChIKey of S-(3-trimethylsilylpropyl) ethanethioate?
The InChIKey is QRGRZPIFTHDQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSSi/c1-8(9)10-6-5-7-11(2,3)4/h5-7H2,1-4H3.
What are the key properties of S-(3-trimethylsilylpropyl) ethanethioate?
S-(3-trimethylsilylpropyl) ethanethioate has a molecular weight of 190.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-trimethylsilylpropyl) ethanethioate is sourced from PubChem (CID 58554711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).