O-(2-ethoxysilylpropan-2-yl) ethanethioate

C7H16O2SSi — CID 154082675

IUPACO-(2-ethoxysilylpropan-2-yl) ethanethioate
SMILESCCO[SiH2]C(C)(C)OC(C)=S
InChIInChI=1S/C7H16O2SSi/c1-5-8-11-7(3,4)9-6(2)10/h5,11H2,1-4H3
InChIKeyYNAFNJWVIKTPQX-UHFFFAOYSA-N
MW192.36 g/mol
LogP1.21
Rot. Bonds4

About O-(2-ethoxysilylpropan-2-yl) ethanethioate

O-(2-ethoxysilylpropan-2-yl) ethanethioate (PubChem CID 154082675) has the molecular formula C7H16O2SSi and a molecular weight of 192.36 g/mol. Its IUPAC name is O-(2-ethoxysilylpropan-2-yl) ethanethioate.

Molecular Properties

Compound NameO-(2-ethoxysilylpropan-2-yl) ethanethioate
PubChem CID154082675
Molecular FormulaC7H16O2SSi
Molecular Weight192.36 g/mol
Exact Mass192.06
IUPAC NameO-(2-ethoxysilylpropan-2-yl) ethanethioate
SMILESCCO[SiH2]C(C)(C)OC(C)=S
InChIInChI=1S/C7H16O2SSi/c1-5-8-11-7(3,4)9-6(2)10/h5,11H2,1-4H3
InChIKeyYNAFNJWVIKTPQX-UHFFFAOYSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(ethoxysilyl)ethyl acetate
CID 175177816
2,3-dimethylbutan-2-yl(ethoxy)silane
CID 123706979
ethoxy(2-methylbutan-2-yl)silane
CID 123886977
1,1-diethoxyethyl(ethoxy)silane
CID 164998800
3-ethoxysilyl-3-methylbutane-1-thiol
CID 154092584
3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
CID 154087119
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
6-ethoxysilyl-4,6-dimethylhept-3-en-1-amine
CID 173078593
[4-(disulfanyl)-2-methylbutan-2-yl]-ethoxysilane
CID 151651350
O-(2-hydroxy-2-methylpropyl) ethanethioate
CID 88671393
ethoxy(tricyclopentylmethyl)silane
CID 175450814
ethoxy(hydroxysilyl)silane
CID 123524431

Frequently Asked Questions

What is the IUPAC name of O-(2-ethoxysilylpropan-2-yl) ethanethioate?
The IUPAC name of O-(2-ethoxysilylpropan-2-yl) ethanethioate (CID 154082675) is O-(2-ethoxysilylpropan-2-yl) ethanethioate.
What is the SMILES notation for O-(2-ethoxysilylpropan-2-yl) ethanethioate?
The canonical SMILES for O-(2-ethoxysilylpropan-2-yl) ethanethioate is CCO[SiH2]C(C)(C)OC(C)=S.
What is the InChIKey of O-(2-ethoxysilylpropan-2-yl) ethanethioate?
The InChIKey is YNAFNJWVIKTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2SSi/c1-5-8-11-7(3,4)9-6(2)10/h5,11H2,1-4H3.
What are the key properties of O-(2-ethoxysilylpropan-2-yl) ethanethioate?
O-(2-ethoxysilylpropan-2-yl) ethanethioate has a molecular weight of 192.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-ethoxysilylpropan-2-yl) ethanethioate is sourced from PubChem (CID 154082675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).