[dimethyl(silyloxy)silyl] 2-sulfanylacetate

C4H12O3SSi2 — CID 175831154

IUPAC[dimethyl(silyloxy)silyl] 2-sulfanylacetate
SMILESC[Si](C)(O[SiH3])OC(=O)CS
InChIInChI=1S/C4H12O3SSi2/c1-10(2,7-9)6-4(5)3-8/h8H,3H2,1-2,9H3
InChIKeyIHHLFGSHVXQSSK-UHFFFAOYSA-N
MW196.38 g/mol
LogP-0.54
Rot. Bonds3

About [dimethyl(silyloxy)silyl] 2-sulfanylacetate

[dimethyl(silyloxy)silyl] 2-sulfanylacetate (PubChem CID 175831154) has the molecular formula C4H12O3SSi2 and a molecular weight of 196.38 g/mol. Its IUPAC name is [dimethyl(silyloxy)silyl] 2-sulfanylacetate.

Molecular Properties

Compound Name[dimethyl(silyloxy)silyl] 2-sulfanylacetate
PubChem CID175831154
Molecular FormulaC4H12O3SSi2
Molecular Weight196.38 g/mol
Exact Mass196.00
IUPAC Name[dimethyl(silyloxy)silyl] 2-sulfanylacetate
SMILESC[Si](C)(O[SiH3])OC(=O)CS
InChIInChI=1S/C4H12O3SSi2/c1-10(2,7-9)6-4(5)3-8/h8H,3H2,1-2,9H3
InChIKeyIHHLFGSHVXQSSK-UHFFFAOYSA-N
XLogP-0.54
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [dimethyl(silyloxy)silyl] 2-sulfanylacetate?
The IUPAC name of [dimethyl(silyloxy)silyl] 2-sulfanylacetate (CID 175831154) is [dimethyl(silyloxy)silyl] 2-sulfanylacetate.
What is the SMILES notation for [dimethyl(silyloxy)silyl] 2-sulfanylacetate?
The canonical SMILES for [dimethyl(silyloxy)silyl] 2-sulfanylacetate is C[Si](C)(O[SiH3])OC(=O)CS.
What is the InChIKey of [dimethyl(silyloxy)silyl] 2-sulfanylacetate?
The InChIKey is IHHLFGSHVXQSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3SSi2/c1-10(2,7-9)6-4(5)3-8/h8H,3H2,1-2,9H3.
What are the key properties of [dimethyl(silyloxy)silyl] 2-sulfanylacetate?
[dimethyl(silyloxy)silyl] 2-sulfanylacetate has a molecular weight of 196.38 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(silyloxy)silyl] 2-sulfanylacetate is sourced from PubChem (CID 175831154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).