triethoxy-[1-(trisulfanyl)propyl]silane

C9H22O3S3Si — CID 18355895

IUPACtriethoxy-[1-(trisulfanyl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)SSS
InChIInChI=1S/C9H22O3S3Si/c1-5-9(14-15-13)16(10-6-2,11-7-3)12-8-4/h9,13H,5-8H2,1-4H3
InChIKeyXPHFVNUKHIGMQM-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.58
Rot. Bonds10

About triethoxy-[1-(trisulfanyl)propyl]silane

triethoxy-[1-(trisulfanyl)propyl]silane (PubChem CID 18355895) has the molecular formula C9H22O3S3Si and a molecular weight of 302.56 g/mol. Its IUPAC name is triethoxy-[1-(trisulfanyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(trisulfanyl)propyl]silane
PubChem CID18355895
Molecular FormulaC9H22O3S3Si
Molecular Weight302.56 g/mol
Exact Mass302.05
IUPAC Nametriethoxy-[1-(trisulfanyl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)SSS
InChIInChI=1S/C9H22O3S3Si/c1-5-9(14-15-13)16(10-6-2,11-7-3)12-8-4/h9,13H,5-8H2,1-4H3
InChIKeyXPHFVNUKHIGMQM-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-triethoxysilylpropyl thiohypochlorite
CID 175012038
tricyclopentyloxy-[1-(trisulfanyl)propyl]silane
CID 18355896
trimethoxy-[1-(tetrasulfanyl)propyl]silane
CID 87406700
ethoxy-[1-[1-(ethoxy-methoxy-propoxysilyl)propyltrisulfanyl]propyl]-methoxy-propoxysilane
CID 54501900
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
CID 102409474
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
3-phenyl-1-triethoxysilylpropane-1-thiol
CID 175065982
triethoxy(5-methylhexan-3-yl)silane
CID 175575145

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-(trisulfanyl)propyl]silane?
The IUPAC name of triethoxy-[1-(trisulfanyl)propyl]silane (CID 18355895) is triethoxy-[1-(trisulfanyl)propyl]silane.
What is the SMILES notation for triethoxy-[1-(trisulfanyl)propyl]silane?
The canonical SMILES for triethoxy-[1-(trisulfanyl)propyl]silane is CCO[Si](OCC)(OCC)C(CC)SSS.
What is the InChIKey of triethoxy-[1-(trisulfanyl)propyl]silane?
The InChIKey is XPHFVNUKHIGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3S3Si/c1-5-9(14-15-13)16(10-6-2,11-7-3)12-8-4/h9,13H,5-8H2,1-4H3.
What are the key properties of triethoxy-[1-(trisulfanyl)propyl]silane?
triethoxy-[1-(trisulfanyl)propyl]silane has a molecular weight of 302.56 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(trisulfanyl)propyl]silane is sourced from PubChem (CID 18355895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).