trimethyl 1-sulfanylpropyl silicate

C6H16O4SSi — CID 87253381

IUPACtrimethyl 1-sulfanylpropyl silicate
SMILESCCC(S)O[Si](OC)(OC)OC
InChIInChI=1S/C6H16O4SSi/c1-5-6(11)10-12(7-2,8-3)9-4/h6,11H,5H2,1-4H3
InChIKeyANGAOSYYKGOKKA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.04
Rot. Bonds6

About trimethyl 1-sulfanylpropyl silicate

trimethyl 1-sulfanylpropyl silicate (PubChem CID 87253381) has the molecular formula C6H16O4SSi and a molecular weight of 212.34 g/mol. Its IUPAC name is trimethyl 1-sulfanylpropyl silicate.

Molecular Properties

Compound Nametrimethyl 1-sulfanylpropyl silicate
PubChem CID87253381
Molecular FormulaC6H16O4SSi
Molecular Weight212.34 g/mol
Exact Mass212.05
IUPAC Nametrimethyl 1-sulfanylpropyl silicate
SMILESCCC(S)O[Si](OC)(OC)OC
InChIInChI=1S/C6H16O4SSi/c1-5-6(11)10-12(7-2,8-3)9-4/h6,11H,5H2,1-4H3
InChIKeyANGAOSYYKGOKKA-UHFFFAOYSA-N
XLogP1.04
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 1-sulfanylpropyl silicate?
The IUPAC name of trimethyl 1-sulfanylpropyl silicate (CID 87253381) is trimethyl 1-sulfanylpropyl silicate.
What is the SMILES notation for trimethyl 1-sulfanylpropyl silicate?
The canonical SMILES for trimethyl 1-sulfanylpropyl silicate is CCC(S)O[Si](OC)(OC)OC.
What is the InChIKey of trimethyl 1-sulfanylpropyl silicate?
The InChIKey is ANGAOSYYKGOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O4SSi/c1-5-6(11)10-12(7-2,8-3)9-4/h6,11H,5H2,1-4H3.
What are the key properties of trimethyl 1-sulfanylpropyl silicate?
trimethyl 1-sulfanylpropyl silicate has a molecular weight of 212.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 1-sulfanylpropyl silicate is sourced from PubChem (CID 87253381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).