2-silylethanethiol

C2H8SSi — CID 123571072

IUPAC2-silylethanethiol
SMILES[SiH3]CCS
InChIInChI=1S/C2H8SSi/c3-1-2-4/h3H,1-2H2,4H3
InChIKeyLAYYTBXZBRQYIO-UHFFFAOYSA-N
MW92.24 g/mol
LogP-0.30
Rot. Bonds1

About 2-silylethanethiol

2-silylethanethiol (PubChem CID 123571072) has the molecular formula C2H8SSi and a molecular weight of 92.24 g/mol. Its IUPAC name is 2-silylethanethiol.

Molecular Properties

Compound Name2-silylethanethiol
PubChem CID123571072
Molecular FormulaC2H8SSi
Molecular Weight92.24 g/mol
Exact Mass92.01
IUPAC Name2-silylethanethiol
SMILES[SiH3]CCS
InChIInChI=1S/C2H8SSi/c3-1-2-4/h3H,1-2H2,4H3
InChIKeyLAYYTBXZBRQYIO-UHFFFAOYSA-N
XLogP-0.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-silylethanethiol?
The IUPAC name of 2-silylethanethiol (CID 123571072) is 2-silylethanethiol.
What is the SMILES notation for 2-silylethanethiol?
The canonical SMILES for 2-silylethanethiol is [SiH3]CCS.
What is the InChIKey of 2-silylethanethiol?
The InChIKey is LAYYTBXZBRQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8SSi/c3-1-2-4/h3H,1-2H2,4H3.
What are the key properties of 2-silylethanethiol?
2-silylethanethiol has a molecular weight of 92.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silylethanethiol is sourced from PubChem (CID 123571072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).