2-trimethylsilyloxyethanethiol

C5H14OSSi — CID 554436

IUPAC2-trimethylsilyloxyethanethiol
SMILESC[Si](C)(C)OCCS
InChIInChI=1S/C5H14OSSi/c1-8(2,3)6-4-5-7/h7H,4-5H2,1-3H3
InChIKeyHTHGXLACOYESSV-UHFFFAOYSA-N
MW150.32 g/mol
LogP1.77
Rot. Bonds3

About 2-trimethylsilyloxyethanethiol

2-trimethylsilyloxyethanethiol (PubChem CID 554436) has the molecular formula C5H14OSSi and a molecular weight of 150.32 g/mol. Its IUPAC name is 2-trimethylsilyloxyethanethiol.

Molecular Properties

Compound Name2-trimethylsilyloxyethanethiol
PubChem CID554436
Molecular FormulaC5H14OSSi
Molecular Weight150.32 g/mol
Exact Mass150.05
IUPAC Name2-trimethylsilyloxyethanethiol
SMILESC[Si](C)(C)OCCS
InChIInChI=1S/C5H14OSSi/c1-8(2,3)6-4-5-7/h7H,4-5H2,1-3H3
InChIKeyHTHGXLACOYESSV-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxyethanethiol?
The IUPAC name of 2-trimethylsilyloxyethanethiol (CID 554436) is 2-trimethylsilyloxyethanethiol.
What is the SMILES notation for 2-trimethylsilyloxyethanethiol?
The canonical SMILES for 2-trimethylsilyloxyethanethiol is C[Si](C)(C)OCCS.
What is the InChIKey of 2-trimethylsilyloxyethanethiol?
The InChIKey is HTHGXLACOYESSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSSi/c1-8(2,3)6-4-5-7/h7H,4-5H2,1-3H3.
What are the key properties of 2-trimethylsilyloxyethanethiol?
2-trimethylsilyloxyethanethiol has a molecular weight of 150.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxyethanethiol is sourced from PubChem (CID 554436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).