thiocyanic acid;triethoxy(propyl)silane

C10H23NO3SSi — CID 172793282

IUPACthiocyanic acid;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.N#CS
InChIInChI=1S/C9H22O3Si.CHNS/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-9H2,1-4H3;3H
InChIKeyPWAQGOPSFBETSG-UHFFFAOYSA-N
MW265.45 g/mol
LogP2.84
Rot. Bonds8

About thiocyanic acid;triethoxy(propyl)silane

thiocyanic acid;triethoxy(propyl)silane (PubChem CID 172793282) has the molecular formula C10H23NO3SSi and a molecular weight of 265.45 g/mol. Its IUPAC name is thiocyanic acid;triethoxy(propyl)silane.

Molecular Properties

Compound Namethiocyanic acid;triethoxy(propyl)silane
PubChem CID172793282
Molecular FormulaC10H23NO3SSi
Molecular Weight265.45 g/mol
Exact Mass265.12
IUPAC Namethiocyanic acid;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.N#CS
InChIInChI=1S/C9H22O3Si.CHNS/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-9H2,1-4H3;3H
InChIKeyPWAQGOPSFBETSG-UHFFFAOYSA-N
XLogP2.84
TPSA51.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;triethoxy(propyl)silane
CID 22145973
CID 175896662
CID 175896662
triethoxy(propyl)silane;trimethoxysilane
CID 159942236
triethoxy(propyl)silane;trimethyl(trimethylsilyloxy)silane
CID 10090451
tetrapropyl silicate;triethoxy(propyl)silane
CID 174059374
triethoxy(3-tritiopropyl)silane
CID 91055673
ethyl(tripropoxy)silane;triethoxy(propyl)silane
CID 19799420
2-triethoxysilylethyl cyanate
CID 3023809
carbamic acid;triethoxy(propyl)silane
CID 175441799
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
imidazolidine;triethoxy(propyl)silane
CID 67493251
3-triethoxysilylpropanenitrile;3-trimethoxysilylpropanenitrile
CID 87442865

Frequently Asked Questions

What is the IUPAC name of thiocyanic acid;triethoxy(propyl)silane?
The IUPAC name of thiocyanic acid;triethoxy(propyl)silane (CID 172793282) is thiocyanic acid;triethoxy(propyl)silane.
What is the SMILES notation for thiocyanic acid;triethoxy(propyl)silane?
The canonical SMILES for thiocyanic acid;triethoxy(propyl)silane is CCC[Si](OCC)(OCC)OCC.N#CS.
What is the InChIKey of thiocyanic acid;triethoxy(propyl)silane?
The InChIKey is PWAQGOPSFBETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.CHNS/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1-3/h5-9H2,1-4H3;3H.
What are the key properties of thiocyanic acid;triethoxy(propyl)silane?
thiocyanic acid;triethoxy(propyl)silane has a molecular weight of 265.45 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiocyanic acid;triethoxy(propyl)silane is sourced from PubChem (CID 172793282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).