3,3-bis(triethoxysilyl)propane-1-thiol

C15H36O6SSi2 — CID 91095961

IUPAC3,3-bis(triethoxysilyl)propane-1-thiol
SMILESCCO[Si](OCC)(OCC)C(CCS)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H36O6SSi2/c1-7-16-23(17-8-2,18-9-3)15(13-14-22)24(19-10-4,20-11-5)21-12-6/h15,22H,7-14H2,1-6H3
InChIKeyCIDYEPOVCFOGMX-UHFFFAOYSA-N
MW400.69 g/mol
LogP3.31
Rot. Bonds16

About 3,3-bis(triethoxysilyl)propane-1-thiol

3,3-bis(triethoxysilyl)propane-1-thiol (PubChem CID 91095961) has the molecular formula C15H36O6SSi2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 3,3-bis(triethoxysilyl)propane-1-thiol.

Molecular Properties

Compound Name3,3-bis(triethoxysilyl)propane-1-thiol
PubChem CID91095961
Molecular FormulaC15H36O6SSi2
Molecular Weight400.69 g/mol
Exact Mass400.18
IUPAC Name3,3-bis(triethoxysilyl)propane-1-thiol
SMILESCCO[Si](OCC)(OCC)C(CCS)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H36O6SSi2/c1-7-16-23(17-8-2,18-9-3)15(13-14-22)24(19-10-4,20-11-5)21-12-6/h15,22H,7-14H2,1-6H3
InChIKeyCIDYEPOVCFOGMX-UHFFFAOYSA-N
XLogP3.31
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
CID 23283769
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
2-triethoxysilylbutane-1,4-diamine
CID 89315608
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
6-triethoxysilyloctan-4-ol
CID 175039957
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
ethoxy-[1-[ethoxy(dimethyl)silyl]butyl]-dimethylsilane
CID 87296400
triethoxy(1-propoxybutyl)silane
CID 174856120
triethoxy-[1-(trisulfanyl)propyl]silane
CID 18355895

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(triethoxysilyl)propane-1-thiol?
The IUPAC name of 3,3-bis(triethoxysilyl)propane-1-thiol (CID 91095961) is 3,3-bis(triethoxysilyl)propane-1-thiol.
What is the SMILES notation for 3,3-bis(triethoxysilyl)propane-1-thiol?
The canonical SMILES for 3,3-bis(triethoxysilyl)propane-1-thiol is CCO[Si](OCC)(OCC)C(CCS)[Si](OCC)(OCC)OCC.
What is the InChIKey of 3,3-bis(triethoxysilyl)propane-1-thiol?
The InChIKey is CIDYEPOVCFOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O6SSi2/c1-7-16-23(17-8-2,18-9-3)15(13-14-22)24(19-10-4,20-11-5)21-12-6/h15,22H,7-14H2,1-6H3.
What are the key properties of 3,3-bis(triethoxysilyl)propane-1-thiol?
3,3-bis(triethoxysilyl)propane-1-thiol has a molecular weight of 400.69 g/mol, XLogP of 3.31, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(triethoxysilyl)propane-1-thiol is sourced from PubChem (CID 91095961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).