3-silylpropane-1-thiol

C3H10SSi — CID 57350108

IUPAC3-silylpropane-1-thiol
SMILES[SiH3]CCCS
InChIInChI=1S/C3H10SSi/c4-2-1-3-5/h4H,1-3H2,5H3
InChIKeyAOAUDAYOMHDUEU-UHFFFAOYSA-N
MW106.27 g/mol
LogP0.09
Rot. Bonds2

About 3-silylpropane-1-thiol

3-silylpropane-1-thiol (PubChem CID 57350108) has the molecular formula C3H10SSi and a molecular weight of 106.27 g/mol. Its IUPAC name is 3-silylpropane-1-thiol.

Molecular Properties

Compound Name3-silylpropane-1-thiol
PubChem CID57350108
Molecular FormulaC3H10SSi
Molecular Weight106.27 g/mol
Exact Mass106.03
IUPAC Name3-silylpropane-1-thiol
SMILES[SiH3]CCCS
InChIInChI=1S/C3H10SSi/c4-2-1-3-5/h4H,1-3H2,5H3
InChIKeyAOAUDAYOMHDUEU-UHFFFAOYSA-N
XLogP0.09
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.27
LogP ≤ 50.09
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 3-silylpropane-1-thiol?
The IUPAC name of 3-silylpropane-1-thiol (CID 57350108) is 3-silylpropane-1-thiol.
What is the SMILES notation for 3-silylpropane-1-thiol?
The canonical SMILES for 3-silylpropane-1-thiol is [SiH3]CCCS.
What is the InChIKey of 3-silylpropane-1-thiol?
The InChIKey is AOAUDAYOMHDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10SSi/c4-2-1-3-5/h4H,1-3H2,5H3.
What are the key properties of 3-silylpropane-1-thiol?
3-silylpropane-1-thiol has a molecular weight of 106.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropane-1-thiol is sourced from PubChem (CID 57350108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).