titanium;3-trihydroxysilylpropane-1-thiol

C3H10O3SSiTi3 — CID 59217422

IUPACtitanium;3-trihydroxysilylpropane-1-thiol
SMILESO[Si](O)(O)CCCS.[Ti].[Ti].[Ti]
InChIInChI=1S/C3H10O3SSi.3Ti/c4-8(5,6)3-1-2-7;;;/h4-7H,1-3H2;;;
InChIKeySYNHUEXBUBXNGJ-UHFFFAOYSA-N
MW297.86 g/mol
LogP-0.79
Rot. Bonds3

About titanium;3-trihydroxysilylpropane-1-thiol

titanium;3-trihydroxysilylpropane-1-thiol (PubChem CID 59217422) has the molecular formula C3H10O3SSiTi3 and a molecular weight of 297.86 g/mol. Its IUPAC name is titanium;3-trihydroxysilylpropane-1-thiol.

Molecular Properties

Compound Nametitanium;3-trihydroxysilylpropane-1-thiol
PubChem CID59217422
Molecular FormulaC3H10O3SSiTi3
Molecular Weight297.86 g/mol
Exact Mass297.86
IUPAC Nametitanium;3-trihydroxysilylpropane-1-thiol
SMILESO[Si](O)(O)CCCS.[Ti].[Ti].[Ti]
InChIInChI=1S/C3H10O3SSi.3Ti/c4-8(5,6)3-1-2-7;;;/h4-7H,1-3H2;;;
InChIKeySYNHUEXBUBXNGJ-UHFFFAOYSA-N
XLogP-0.79
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 5-0.79
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 titanium;3-trihydroxysilylpropane-1-thiol?
The IUPAC name of titanium;3-trihydroxysilylpropane-1-thiol (CID 59217422) is titanium;3-trihydroxysilylpropane-1-thiol.
What is the SMILES notation for titanium;3-trihydroxysilylpropane-1-thiol?
The canonical SMILES for titanium;3-trihydroxysilylpropane-1-thiol is O[Si](O)(O)CCCS.[Ti].[Ti].[Ti].
What is the InChIKey of titanium;3-trihydroxysilylpropane-1-thiol?
The InChIKey is SYNHUEXBUBXNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3SSi.3Ti/c4-8(5,6)3-1-2-7;;;/h4-7H,1-3H2;;;.
What are the key properties of titanium;3-trihydroxysilylpropane-1-thiol?
titanium;3-trihydroxysilylpropane-1-thiol has a molecular weight of 297.86 g/mol, XLogP of -0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;3-trihydroxysilylpropane-1-thiol is sourced from PubChem (CID 59217422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).