3-trihydroxysilylpropanethial

C3H8O3SSi — CID 87651991

IUPAC3-trihydroxysilylpropanethial
SMILESO[Si](O)(O)CCC=S
InChIInChI=1S/C3H8O3SSi/c4-8(5,6)3-1-2-7/h2,4-6H,1,3H2
InChIKeyCCSBGANEWXQVIU-UHFFFAOYSA-N
MW152.25 g/mol
LogP-0.71
Rot. Bonds3

About 3-trihydroxysilylpropanethial

3-trihydroxysilylpropanethial (PubChem CID 87651991) has the molecular formula C3H8O3SSi and a molecular weight of 152.25 g/mol. Its IUPAC name is 3-trihydroxysilylpropanethial.

Molecular Properties

Compound Name3-trihydroxysilylpropanethial
PubChem CID87651991
Molecular FormulaC3H8O3SSi
Molecular Weight152.25 g/mol
Exact Mass152.00
IUPAC Name3-trihydroxysilylpropanethial
SMILESO[Si](O)(O)CCC=S
InChIInChI=1S/C3H8O3SSi/c4-8(5,6)3-1-2-7/h2,4-6H,1,3H2
InChIKeyCCSBGANEWXQVIU-UHFFFAOYSA-N
XLogP-0.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trihydroxysilylpropanethial?
The IUPAC name of 3-trihydroxysilylpropanethial (CID 87651991) is 3-trihydroxysilylpropanethial.
What is the SMILES notation for 3-trihydroxysilylpropanethial?
The canonical SMILES for 3-trihydroxysilylpropanethial is O[Si](O)(O)CCC=S.
What is the InChIKey of 3-trihydroxysilylpropanethial?
The InChIKey is CCSBGANEWXQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3SSi/c4-8(5,6)3-1-2-7/h2,4-6H,1,3H2.
What are the key properties of 3-trihydroxysilylpropanethial?
3-trihydroxysilylpropanethial has a molecular weight of 152.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trihydroxysilylpropanethial is sourced from PubChem (CID 87651991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).