1-trimethylsilyloxyethanethiol

C5H14OSSi — CID 13442914

IUPAC1-trimethylsilyloxyethanethiol
SMILESCC(S)O[Si](C)(C)C
InChIInChI=1S/C5H14OSSi/c1-5(7)6-8(2,3)4/h5,7H,1-4H3
InChIKeyUFBFCOKHENSFNS-UHFFFAOYSA-N
MW150.32 g/mol
LogP2.11
Rot. Bonds2

About 1-trimethylsilyloxyethanethiol

1-trimethylsilyloxyethanethiol (PubChem CID 13442914) has the molecular formula C5H14OSSi and a molecular weight of 150.32 g/mol. Its IUPAC name is 1-trimethylsilyloxyethanethiol.

Molecular Properties

Compound Name1-trimethylsilyloxyethanethiol
PubChem CID13442914
Molecular FormulaC5H14OSSi
Molecular Weight150.32 g/mol
Exact Mass150.05
IUPAC Name1-trimethylsilyloxyethanethiol
SMILESCC(S)O[Si](C)(C)C
InChIInChI=1S/C5H14OSSi/c1-5(7)6-8(2,3)4/h5,7H,1-4H3
InChIKeyUFBFCOKHENSFNS-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyloxyethanethiol?
The IUPAC name of 1-trimethylsilyloxyethanethiol (CID 13442914) is 1-trimethylsilyloxyethanethiol.
What is the SMILES notation for 1-trimethylsilyloxyethanethiol?
The canonical SMILES for 1-trimethylsilyloxyethanethiol is CC(S)O[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilyloxyethanethiol?
The InChIKey is UFBFCOKHENSFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSSi/c1-5(7)6-8(2,3)4/h5,7H,1-4H3.
What are the key properties of 1-trimethylsilyloxyethanethiol?
1-trimethylsilyloxyethanethiol has a molecular weight of 150.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyethanethiol is sourced from PubChem (CID 13442914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).