2-trihydroxysilylethanethiol

C2H8O3SSi — CID 90821207

IUPAC2-trihydroxysilylethanethiol
SMILESO[Si](O)(O)CCS
InChIInChI=1S/C2H8O3SSi/c3-7(4,5)2-1-6/h3-6H,1-2H2
InChIKeyAIDDXGGSYJCUEZ-UHFFFAOYSA-N
MW140.24 g/mol
LogP-1.17
Rot. Bonds2

About 2-trihydroxysilylethanethiol

2-trihydroxysilylethanethiol (PubChem CID 90821207) has the molecular formula C2H8O3SSi and a molecular weight of 140.24 g/mol. Its IUPAC name is 2-trihydroxysilylethanethiol.

Molecular Properties

Compound Name2-trihydroxysilylethanethiol
PubChem CID90821207
Molecular FormulaC2H8O3SSi
Molecular Weight140.24 g/mol
Exact Mass140.00
IUPAC Name2-trihydroxysilylethanethiol
SMILESO[Si](O)(O)CCS
InChIInChI=1S/C2H8O3SSi/c3-7(4,5)2-1-6/h3-6H,1-2H2
InChIKeyAIDDXGGSYJCUEZ-UHFFFAOYSA-N
XLogP-1.17
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-trihydroxysilylethanethiol?
The IUPAC name of 2-trihydroxysilylethanethiol (CID 90821207) is 2-trihydroxysilylethanethiol.
What is the SMILES notation for 2-trihydroxysilylethanethiol?
The canonical SMILES for 2-trihydroxysilylethanethiol is O[Si](O)(O)CCS.
What is the InChIKey of 2-trihydroxysilylethanethiol?
The InChIKey is AIDDXGGSYJCUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O3SSi/c3-7(4,5)2-1-6/h3-6H,1-2H2.
What are the key properties of 2-trihydroxysilylethanethiol?
2-trihydroxysilylethanethiol has a molecular weight of 140.24 g/mol, XLogP of -1.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trihydroxysilylethanethiol is sourced from PubChem (CID 90821207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).