2-(triethoxysilylmethyl)benzenethiol

C13H22O3SSi — CID 141156182

IUPAC2-(triethoxysilylmethyl)benzenethiol
SMILESCCO[Si](Cc1ccccc1S)(OCC)OCC
InChIInChI=1S/C13H22O3SSi/c1-4-14-18(15-5-2,16-6-3)11-12-9-7-8-10-13(12)17/h7-10,17H,4-6,11H2,1-3H3
InChIKeyHEFWUFPEKRHFPA-UHFFFAOYSA-N
MW286.47 g/mol
LogP3.11
Rot. Bonds8

About 2-(triethoxysilylmethyl)benzenethiol

2-(triethoxysilylmethyl)benzenethiol (PubChem CID 141156182) has the molecular formula C13H22O3SSi and a molecular weight of 286.47 g/mol. Its IUPAC name is 2-(triethoxysilylmethyl)benzenethiol.

Molecular Properties

Compound Name2-(triethoxysilylmethyl)benzenethiol
PubChem CID141156182
Molecular FormulaC13H22O3SSi
Molecular Weight286.47 g/mol
Exact Mass286.11
IUPAC Name2-(triethoxysilylmethyl)benzenethiol
SMILESCCO[Si](Cc1ccccc1S)(OCC)OCC
InChIInChI=1S/C13H22O3SSi/c1-4-14-18(15-5-2,16-6-3)11-12-9-7-8-10-13(12)17/h7-10,17H,4-6,11H2,1-3H3
InChIKeyHEFWUFPEKRHFPA-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-fluorophenyl)methyl]silane
CID 146004998
(2-ethenylphenyl)methyl-triethoxysilane
CID 67544358
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
2-[ethoxy(dimethyl)silyl]benzenethiol
CID 54441074
2-ethylbenzenethiol;hydrochloride;tetrahydrofluoride
CID 173051848
(2,4-diiodophenyl)methyl-triethoxysilane
CID 153491476
(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962
diphenylphosphane;triethoxy(ethyl)silane
CID 67019736
triethoxy(1-naphthalen-2-ylethyl)silane
CID 18795115
triphenyl(triethoxysilylmethyl)phosphanium iodide
CID 71410577
2-butylbenzenethiol;trihydrofluoride
CID 173024842
triethoxy-[(5-methoxy-2-methylphenyl)methyl]silane
CID 59566772

Frequently Asked Questions

What is the IUPAC name of 2-(triethoxysilylmethyl)benzenethiol?
The IUPAC name of 2-(triethoxysilylmethyl)benzenethiol (CID 141156182) is 2-(triethoxysilylmethyl)benzenethiol.
What is the SMILES notation for 2-(triethoxysilylmethyl)benzenethiol?
The canonical SMILES for 2-(triethoxysilylmethyl)benzenethiol is CCO[Si](Cc1ccccc1S)(OCC)OCC.
What is the InChIKey of 2-(triethoxysilylmethyl)benzenethiol?
The InChIKey is HEFWUFPEKRHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3SSi/c1-4-14-18(15-5-2,16-6-3)11-12-9-7-8-10-13(12)17/h7-10,17H,4-6,11H2,1-3H3.
What are the key properties of 2-(triethoxysilylmethyl)benzenethiol?
2-(triethoxysilylmethyl)benzenethiol has a molecular weight of 286.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triethoxysilylmethyl)benzenethiol is sourced from PubChem (CID 141156182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).