1-ethylsulfanyl-2-silyloxysilylethanol

C4H14O2SSi2 — CID 173483110

IUPAC1-ethylsulfanyl-2-silyloxysilylethanol
SMILESCCSC(O)C[SiH2]O[SiH3]
InChIInChI=1S/C4H14O2SSi2/c1-2-7-4(5)3-9-6-8/h4-5H,2-3,9H2,1,8H3
InChIKeyLSWDIDWFKAAZGI-UHFFFAOYSA-N
MW182.39 g/mol
LogP-1.14
Rot. Bonds5

About 1-ethylsulfanyl-2-silyloxysilylethanol

1-ethylsulfanyl-2-silyloxysilylethanol (PubChem CID 173483110) has the molecular formula C4H14O2SSi2 and a molecular weight of 182.39 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-silyloxysilylethanol.

Molecular Properties

Compound Name1-ethylsulfanyl-2-silyloxysilylethanol
PubChem CID173483110
Molecular FormulaC4H14O2SSi2
Molecular Weight182.39 g/mol
Exact Mass182.03
IUPAC Name1-ethylsulfanyl-2-silyloxysilylethanol
SMILESCCSC(O)C[SiH2]O[SiH3]
InChIInChI=1S/C4H14O2SSi2/c1-2-7-4(5)3-9-6-8/h4-5H,2-3,9H2,1,8H3
InChIKeyLSWDIDWFKAAZGI-UHFFFAOYSA-N
XLogP-1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.39
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-silyloxysilylethanol?
The IUPAC name of 1-ethylsulfanyl-2-silyloxysilylethanol (CID 173483110) is 1-ethylsulfanyl-2-silyloxysilylethanol.
What is the SMILES notation for 1-ethylsulfanyl-2-silyloxysilylethanol?
The canonical SMILES for 1-ethylsulfanyl-2-silyloxysilylethanol is CCSC(O)C[SiH2]O[SiH3].
What is the InChIKey of 1-ethylsulfanyl-2-silyloxysilylethanol?
The InChIKey is LSWDIDWFKAAZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14O2SSi2/c1-2-7-4(5)3-9-6-8/h4-5H,2-3,9H2,1,8H3.
What are the key properties of 1-ethylsulfanyl-2-silyloxysilylethanol?
1-ethylsulfanyl-2-silyloxysilylethanol has a molecular weight of 182.39 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-silyloxysilylethanol is sourced from PubChem (CID 173483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).