3-[diethoxy(phenyl)silyl]oxypropane-1-thiol

C13H22O3SSi — CID 87401013

IUPAC3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
SMILESCCO[Si](OCC)(OCCCS)c1ccccc1
InChIInChI=1S/C13H22O3SSi/c1-3-14-18(15-4-2,16-11-8-12-17)13-9-6-5-7-10-13/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3
InChIKeyHMTWDNMVSJFHBZ-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.24
Rot. Bonds9

About 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol

3-[diethoxy(phenyl)silyl]oxypropane-1-thiol (PubChem CID 87401013) has the molecular formula C13H22O3SSi and a molecular weight of 286.47 g/mol. Its IUPAC name is 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol.

Molecular Properties

Compound Name3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
PubChem CID87401013
Molecular FormulaC13H22O3SSi
Molecular Weight286.47 g/mol
Exact Mass286.11
IUPAC Name3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
SMILESCCO[Si](OCC)(OCCCS)c1ccccc1
InChIInChI=1S/C13H22O3SSi/c1-3-14-18(15-4-2,16-11-8-12-17)13-9-6-5-7-10-13/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3
InChIKeyHMTWDNMVSJFHBZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
CID 153327930
ethane;triethoxy(phenyl)silane
CID 174836592
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
fluorosilane;triethoxy(phenyl)silane
CID 174494490
boric acid;triethoxy(phenyl)silane
CID 174800585
[diethoxy(phenyl)silyl]oxy-diethoxy-phenylsilane
CID 14533277
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine
CID 154134057
phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
CID 159737253
2-(ethoxy-methoxy-phenylsilyl)oxyethanol
CID 140892700

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol?
The IUPAC name of 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol (CID 87401013) is 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol.
What is the SMILES notation for 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol?
The canonical SMILES for 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol is CCO[Si](OCC)(OCCCS)c1ccccc1.
What is the InChIKey of 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol?
The InChIKey is HMTWDNMVSJFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3SSi/c1-3-14-18(15-4-2,16-11-8-12-17)13-9-6-5-7-10-13/h5-7,9-10,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol?
3-[diethoxy(phenyl)silyl]oxypropane-1-thiol has a molecular weight of 286.47 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(phenyl)silyl]oxypropane-1-thiol is sourced from PubChem (CID 87401013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).