1-trihydroxysilylpropane-1-thiol

C3H10O3SSi — CID 22723565

IUPAC1-trihydroxysilylpropane-1-thiol
SMILESCCC(S)[Si](O)(O)O
InChIInChI=1S/C3H10O3SSi/c1-2-3(7)8(4,5)6/h3-7H,2H2,1H3
InChIKeyUXRBDVIYLJSEMP-UHFFFAOYSA-N
MW154.26 g/mol
LogP-0.85
Rot. Bonds2

About 1-trihydroxysilylpropane-1-thiol

1-trihydroxysilylpropane-1-thiol (PubChem CID 22723565) has the molecular formula C3H10O3SSi and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-trihydroxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-trihydroxysilylpropane-1-thiol
PubChem CID22723565
Molecular FormulaC3H10O3SSi
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name1-trihydroxysilylpropane-1-thiol
SMILESCCC(S)[Si](O)(O)O
InChIInChI=1S/C3H10O3SSi/c1-2-3(7)8(4,5)6/h3-7H,2H2,1H3
InChIKeyUXRBDVIYLJSEMP-UHFFFAOYSA-N
XLogP-0.85
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.85
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 1-trihydroxysilylpropane-1-thiol?
The IUPAC name of 1-trihydroxysilylpropane-1-thiol (CID 22723565) is 1-trihydroxysilylpropane-1-thiol.
What is the SMILES notation for 1-trihydroxysilylpropane-1-thiol?
The canonical SMILES for 1-trihydroxysilylpropane-1-thiol is CCC(S)[Si](O)(O)O.
What is the InChIKey of 1-trihydroxysilylpropane-1-thiol?
The InChIKey is UXRBDVIYLJSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3SSi/c1-2-3(7)8(4,5)6/h3-7H,2H2,1H3.
What are the key properties of 1-trihydroxysilylpropane-1-thiol?
1-trihydroxysilylpropane-1-thiol has a molecular weight of 154.26 g/mol, XLogP of -0.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trihydroxysilylpropane-1-thiol is sourced from PubChem (CID 22723565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).