3-hydroxysilylpropane-1-thiol

C3H10OSSi — CID 123679132

IUPAC3-hydroxysilylpropane-1-thiol
SMILESO[SiH2]CCCS
InChIInChI=1S/C3H10OSSi/c4-6-3-1-2-5/h4-5H,1-3,6H2
InChIKeyRDJPEDBMBORDBC-UHFFFAOYSA-N
MW122.27 g/mol
LogP-0.20
Rot. Bonds3

About 3-hydroxysilylpropane-1-thiol

3-hydroxysilylpropane-1-thiol (PubChem CID 123679132) has the molecular formula C3H10OSSi and a molecular weight of 122.27 g/mol. Its IUPAC name is 3-hydroxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-hydroxysilylpropane-1-thiol
PubChem CID123679132
Molecular FormulaC3H10OSSi
Molecular Weight122.27 g/mol
Exact Mass122.02
IUPAC Name3-hydroxysilylpropane-1-thiol
SMILESO[SiH2]CCCS
InChIInChI=1S/C3H10OSSi/c4-6-3-1-2-5/h4-5H,1-3,6H2
InChIKeyRDJPEDBMBORDBC-UHFFFAOYSA-N
XLogP-0.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxysilylpropane-1-thiol?
The IUPAC name of 3-hydroxysilylpropane-1-thiol (CID 123679132) is 3-hydroxysilylpropane-1-thiol.
What is the SMILES notation for 3-hydroxysilylpropane-1-thiol?
The canonical SMILES for 3-hydroxysilylpropane-1-thiol is O[SiH2]CCCS.
What is the InChIKey of 3-hydroxysilylpropane-1-thiol?
The InChIKey is RDJPEDBMBORDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10OSSi/c4-6-3-1-2-5/h4-5H,1-3,6H2.
What are the key properties of 3-hydroxysilylpropane-1-thiol?
3-hydroxysilylpropane-1-thiol has a molecular weight of 122.27 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysilylpropane-1-thiol is sourced from PubChem (CID 123679132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).