3-(benzenesulfinyl)propyl-trimethoxysilane

C12H20O4SSi — CID 18512472

IUPAC3-(benzenesulfinyl)propyl-trimethoxysilane
SMILESCO[Si](CCCS(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C12H20O4SSi/c1-14-18(15-2,16-3)11-7-10-17(13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyBEHCNWFTMIEBFC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.06
Rot. Bonds8

About 3-(benzenesulfinyl)propyl-trimethoxysilane

3-(benzenesulfinyl)propyl-trimethoxysilane (PubChem CID 18512472) has the molecular formula C12H20O4SSi and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(benzenesulfinyl)propyl-trimethoxysilane.

Molecular Properties

Compound Name3-(benzenesulfinyl)propyl-trimethoxysilane
PubChem CID18512472
Molecular FormulaC12H20O4SSi
Molecular Weight288.44 g/mol
Exact Mass288.09
IUPAC Name3-(benzenesulfinyl)propyl-trimethoxysilane
SMILESCO[Si](CCCS(=O)c1ccccc1)(OC)OC
InChIInChI=1S/C12H20O4SSi/c1-14-18(15-2,16-3)11-7-10-17(13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyBEHCNWFTMIEBFC-UHFFFAOYSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)propyl-trimethoxysilane?
The IUPAC name of 3-(benzenesulfinyl)propyl-trimethoxysilane (CID 18512472) is 3-(benzenesulfinyl)propyl-trimethoxysilane.
What is the SMILES notation for 3-(benzenesulfinyl)propyl-trimethoxysilane?
The canonical SMILES for 3-(benzenesulfinyl)propyl-trimethoxysilane is CO[Si](CCCS(=O)c1ccccc1)(OC)OC.
What is the InChIKey of 3-(benzenesulfinyl)propyl-trimethoxysilane?
The InChIKey is BEHCNWFTMIEBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4SSi/c1-14-18(15-2,16-3)11-7-10-17(13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of 3-(benzenesulfinyl)propyl-trimethoxysilane?
3-(benzenesulfinyl)propyl-trimethoxysilane has a molecular weight of 288.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)propyl-trimethoxysilane is sourced from PubChem (CID 18512472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).