[diethoxy(2-phenylethoxy)silyl]methanethiol

C13H22O3SSi — CID 141358316

IUPAC[diethoxy(2-phenylethoxy)silyl]methanethiol
SMILESCCO[Si](CS)(OCC)OCCc1ccccc1
InChIInChI=1S/C13H22O3SSi/c1-3-14-18(12-17,15-4-2)16-11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyQILITUIFZAGXJK-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.73
Rot. Bonds9

About [diethoxy(2-phenylethoxy)silyl]methanethiol

[diethoxy(2-phenylethoxy)silyl]methanethiol (PubChem CID 141358316) has the molecular formula C13H22O3SSi and a molecular weight of 286.47 g/mol. Its IUPAC name is [diethoxy(2-phenylethoxy)silyl]methanethiol.

Molecular Properties

Compound Name[diethoxy(2-phenylethoxy)silyl]methanethiol
PubChem CID141358316
Molecular FormulaC13H22O3SSi
Molecular Weight286.47 g/mol
Exact Mass286.11
IUPAC Name[diethoxy(2-phenylethoxy)silyl]methanethiol
SMILESCCO[Si](CS)(OCC)OCCc1ccccc1
InChIInChI=1S/C13H22O3SSi/c1-3-14-18(12-17,15-4-2)16-11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyQILITUIFZAGXJK-UHFFFAOYSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.73
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

benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
CID 175305550
triethyl 2-[2-[2-[2-[2-(2-phenylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl silicate
CID 175305307
2-[dimethoxy(2-phenylethyl)silyl]oxyethanethiol
CID 87336831
3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
benzyl-ethoxy-methoxy-(2-methoxyethoxy)silane
CID 174913624
3-phenyl-1-triethoxysilylpropane-1-thiol
CID 175065982
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
butyl-dimethyl-(2-phenylethoxy)silane
CID 601576
4-[2-[diethoxy(ethyl)silyl]oxyethyl]benzenesulfonyl chloride
CID 87221820
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
tris(2-methylpropyl)-(2-phenylethoxy)silane
CID 621863

Frequently Asked Questions

What is the IUPAC name of [diethoxy(2-phenylethoxy)silyl]methanethiol?
The IUPAC name of [diethoxy(2-phenylethoxy)silyl]methanethiol (CID 141358316) is [diethoxy(2-phenylethoxy)silyl]methanethiol.
What is the SMILES notation for [diethoxy(2-phenylethoxy)silyl]methanethiol?
The canonical SMILES for [diethoxy(2-phenylethoxy)silyl]methanethiol is CCO[Si](CS)(OCC)OCCc1ccccc1.
What is the InChIKey of [diethoxy(2-phenylethoxy)silyl]methanethiol?
The InChIKey is QILITUIFZAGXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3SSi/c1-3-14-18(12-17,15-4-2)16-11-10-13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3.
What are the key properties of [diethoxy(2-phenylethoxy)silyl]methanethiol?
[diethoxy(2-phenylethoxy)silyl]methanethiol has a molecular weight of 286.47 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(2-phenylethoxy)silyl]methanethiol is sourced from PubChem (CID 141358316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).