(3-mercaptopropyl)siloxane

C3H8OSSi — CID 54408704

IUPAC—
SMILESO[Si]CCCS
InChIInChI=1S/C3H8OSSi/c4-6-3-1-2-5/h4-5H,1-3H2
InChIKeyKYZPKGLDWYZWAD-UHFFFAOYSA-N
MW120.25 g/mol
LogP0.34
Rot. Bonds3

About (3-mercaptopropyl)siloxane

(3-mercaptopropyl)siloxane (PubChem CID 54408704) has the molecular formula C3H8OSSi and a molecular weight of 120.25 g/mol.

Molecular Properties

Compound Name(3-mercaptopropyl)siloxane
PubChem CID54408704
Molecular FormulaC3H8OSSi
Molecular Weight120.25 g/mol
Exact Mass120.01
IUPAC Name—
SMILESO[Si]CCCS
InChIInChI=1S/C3H8OSSi/c4-6-3-1-2-5/h4-5H,1-3H2
InChIKeyKYZPKGLDWYZWAD-UHFFFAOYSA-N
XLogP0.34
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.25
LogP ≤ 50.34
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-mercaptopropyl)siloxane?
The IUPAC name of (3-mercaptopropyl)siloxane (CID 54408704) is not available.
What is the SMILES notation for (3-mercaptopropyl)siloxane?
The canonical SMILES for (3-mercaptopropyl)siloxane is O[Si]CCCS.
What is the InChIKey of (3-mercaptopropyl)siloxane?
The InChIKey is KYZPKGLDWYZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OSSi/c4-6-3-1-2-5/h4-5H,1-3H2.
What are the key properties of (3-mercaptopropyl)siloxane?
(3-mercaptopropyl)siloxane has a molecular weight of 120.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-mercaptopropyl)siloxane is sourced from PubChem (CID 54408704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).