S-(2-trimethylsilyloxypropyl) ethanethioate

C8H18O2SSi — CID 71623584

IUPACS-(2-trimethylsilyloxypropyl) ethanethioate
SMILESCC(=O)SCC(C)O[Si](C)(C)C
InChIInChI=1S/C8H18O2SSi/c1-7(6-11-8(2)9)10-12(3,4)5/h7H,6H2,1-5H3
InChIKeyVKDCKQGQGIWOKZ-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.51
Rot. Bonds4

About S-(2-trimethylsilyloxypropyl) ethanethioate

S-(2-trimethylsilyloxypropyl) ethanethioate (PubChem CID 71623584) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol. Its IUPAC name is S-(2-trimethylsilyloxypropyl) ethanethioate.

Molecular Properties

Compound NameS-(2-trimethylsilyloxypropyl) ethanethioate
PubChem CID71623584
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC NameS-(2-trimethylsilyloxypropyl) ethanethioate
SMILESCC(=O)SCC(C)O[Si](C)(C)C
InChIInChI=1S/C8H18O2SSi/c1-7(6-11-8(2)9)10-12(3,4)5/h7H,6H2,1-5H3
InChIKeyVKDCKQGQGIWOKZ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-trimethylsilyloxybutanoic acid
CID 11008465
trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
CID 523348
S-(2-methyl-3-oxobutyl) ethanethioate;molecular iodine
CID 161490913
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
S-[(2S)-3-methyl-2-(methyldisulfanyl)butyl] ethanethioate
CID 154619334
S-[[[acetylsulfanylmethyl(dimethyl)silyl]-dimethylsilyl]methyl] ethanethioate
CID 125479359
3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoic acid;hydrochloride
CID 88629355
ethyl 3-acetylsulfanyl-2-aminopropanoate
CID 78146596
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
S-(3,3,3-trifluoro-2-hydroxypropyl) ethanethioate
CID 126847710
(3-acetylsulfanyl-2-methylpropanoyl)oxymethanesulfonic acid
CID 54535133
trimethyl(pentan-2-yloxy)silane
CID 552847

Frequently Asked Questions

What is the IUPAC name of S-(2-trimethylsilyloxypropyl) ethanethioate?
The IUPAC name of S-(2-trimethylsilyloxypropyl) ethanethioate (CID 71623584) is S-(2-trimethylsilyloxypropyl) ethanethioate.
What is the SMILES notation for S-(2-trimethylsilyloxypropyl) ethanethioate?
The canonical SMILES for S-(2-trimethylsilyloxypropyl) ethanethioate is CC(=O)SCC(C)O[Si](C)(C)C.
What is the InChIKey of S-(2-trimethylsilyloxypropyl) ethanethioate?
The InChIKey is VKDCKQGQGIWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-7(6-11-8(2)9)10-12(3,4)5/h7H,6H2,1-5H3.
What are the key properties of S-(2-trimethylsilyloxypropyl) ethanethioate?
S-(2-trimethylsilyloxypropyl) ethanethioate has a molecular weight of 206.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-trimethylsilyloxypropyl) ethanethioate is sourced from PubChem (CID 71623584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).