3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane

C12H26N2O3SSi — CID 3021675

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane
SMILESCCO[Si](CCCSC1=NCCN1)(OCC)OCC
InChIInChI=1S/C12H26N2O3SSi/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12/h4-11H2,1-3H3,(H,13,14)
InChIKeyWGJFRXHVORWEHN-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.12
Rot. Bonds10

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane (PubChem CID 3021675) has the molecular formula C12H26N2O3SSi and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane
PubChem CID3021675
Molecular FormulaC12H26N2O3SSi
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane
SMILESCCO[Si](CCCSC1=NCCN1)(OCC)OCC
InChIInChI=1S/C12H26N2O3SSi/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12/h4-11H2,1-3H3,(H,13,14)
InChIKeyWGJFRXHVORWEHN-UHFFFAOYSA-N
XLogP2.12
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
CID 54603791
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium;bromide;hydrobromide
CID 138399206
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[3-[silyl(3-triethoxysilylpropyl)silyl]propyl]silane
CID 162102309
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
3-(3-triethoxysilylpropylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 132554513
2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
CID 143157442
3-(4,5-dihydro-1,3-oxazol-2-yl)propyl-triethoxysilane
CID 22104347
3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane
CID 18944736
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 51062702

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane (CID 3021675) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane is CCO[Si](CCCSC1=NCCN1)(OCC)OCC.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane?
The InChIKey is WGJFRXHVORWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3SSi/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12/h4-11H2,1-3H3,(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane has a molecular weight of 306.50 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane is sourced from PubChem (CID 3021675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).