3-trihydroxysilylpropane-1-thiol

C3H10O3SSi — CID 15787898

IUPAC3-trihydroxysilylpropane-1-thiol
SMILESO[Si](O)(O)CCCS
InChIInChI=1S/C3H10O3SSi/c4-8(5,6)3-1-2-7/h4-7H,1-3H2
InChIKeyTTZYZLZAQZRYFC-UHFFFAOYSA-N
MW154.26 g/mol
LogP-0.78
Rot. Bonds3

About 3-trihydroxysilylpropane-1-thiol

3-trihydroxysilylpropane-1-thiol (PubChem CID 15787898) has the molecular formula C3H10O3SSi and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-trihydroxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-trihydroxysilylpropane-1-thiol
PubChem CID15787898
Molecular FormulaC3H10O3SSi
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name3-trihydroxysilylpropane-1-thiol
SMILESO[Si](O)(O)CCCS
InChIInChI=1S/C3H10O3SSi/c4-8(5,6)3-1-2-7/h4-7H,1-3H2
InChIKeyTTZYZLZAQZRYFC-UHFFFAOYSA-N
XLogP-0.78
TPSA60.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 5-0.78
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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Related Compounds

(3-Mercaptopropyl)siloxane
CID 54408704
3-[Dihydroxy(methyl)silyl]propane-1-thiol
CID 86176657
(3-Mercaptopropyl)methylsiloxane
CID 132426932
Mercaptopropylmethylsiloxane
CID 145795423
Mercaptopropylsiloxane
CID 129694923
3-Mercaptopropyl trisiloxane
CID 141759026
1-Trihydroxysilylpropane-1-thiol
CID 22723565
3-(Disulfanyl)propyl-trihydroxysilane;titanium
CID 59217420
Titanium;3-trihydroxysilylpropane-1-thiol
CID 59217422
3-Trihydroxysilylpropanethial
CID 87651991
CID 88694739
CID 88694739
2-Trihydroxysilylethanethiol
CID 90821207

Frequently Asked Questions

What is the IUPAC name of 3-trihydroxysilylpropane-1-thiol?
The IUPAC name of 3-trihydroxysilylpropane-1-thiol (CID 15787898) is 3-trihydroxysilylpropane-1-thiol.
What is the SMILES notation for 3-trihydroxysilylpropane-1-thiol?
The canonical SMILES for 3-trihydroxysilylpropane-1-thiol is O[Si](O)(O)CCCS.
What is the InChIKey of 3-trihydroxysilylpropane-1-thiol?
The InChIKey is TTZYZLZAQZRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3SSi/c4-8(5,6)3-1-2-7/h4-7H,1-3H2.
What are the key properties of 3-trihydroxysilylpropane-1-thiol?
3-trihydroxysilylpropane-1-thiol has a molecular weight of 154.26 g/mol, XLogP of -0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trihydroxysilylpropane-1-thiol is sourced from PubChem (CID 15787898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).