1-triphenoxysilylpropane-1-thiol

C21H22O3SSi — CID 22019778

IUPAC1-triphenoxysilylpropane-1-thiol
SMILESCCC(S)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H22O3SSi/c1-2-21(25)26(22-18-12-6-3-7-13-18,23-19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,21,25H,2H2,1H3
InChIKeyXELSYNWBQFLIDD-UHFFFAOYSA-N
MW382.56 g/mol
LogP5.41
Rot. Bonds8

About 1-triphenoxysilylpropane-1-thiol

1-triphenoxysilylpropane-1-thiol (PubChem CID 22019778) has the molecular formula C21H22O3SSi and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-triphenoxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-triphenoxysilylpropane-1-thiol
PubChem CID22019778
Molecular FormulaC21H22O3SSi
Molecular Weight382.56 g/mol
Exact Mass382.11
IUPAC Name1-triphenoxysilylpropane-1-thiol
SMILESCCC(S)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H22O3SSi/c1-2-21(25)26(22-18-12-6-3-7-13-18,23-19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,21,25H,2H2,1H3
InChIKeyXELSYNWBQFLIDD-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.56
LogP ≤ 55.41
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

4-[diethyl(phenoxy)silyl]butyl-diethyl-phenoxysilane
CID 66773415
ethyl-[[ethyl(diphenoxy)silyl]methyl]-diphenoxysilane
CID 66773814
benzyl-methyl-diphenoxysilane
CID 140892779
1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine
CID 68584542
diiodo-octyl-phenoxysilane
CID 140744994
ethyl-diphenoxy-propylsilane
CID 140623858
phenoxy-diphenyl-propylsilane
CID 66773867
ethoxy-diethyl-phenoxysilane
CID 15146062
butyl-diiodo-phenoxysilane
CID 140745005
ethylsulfanyl(phenoxy)methanethiol
CID 163994209
hydroxy-methoxy-phenoxy-sulfanyloxysilane
CID 174924999
(1R)-1-phenoxypentane-1-thiol
CID 134536551

Frequently Asked Questions

What is the IUPAC name of 1-triphenoxysilylpropane-1-thiol?
The IUPAC name of 1-triphenoxysilylpropane-1-thiol (CID 22019778) is 1-triphenoxysilylpropane-1-thiol.
What is the SMILES notation for 1-triphenoxysilylpropane-1-thiol?
The canonical SMILES for 1-triphenoxysilylpropane-1-thiol is CCC(S)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-triphenoxysilylpropane-1-thiol?
The InChIKey is XELSYNWBQFLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3SSi/c1-2-21(25)26(22-18-12-6-3-7-13-18,23-19-14-8-4-9-15-19)24-20-16-10-5-11-17-20/h3-17,21,25H,2H2,1H3.
What are the key properties of 1-triphenoxysilylpropane-1-thiol?
1-triphenoxysilylpropane-1-thiol has a molecular weight of 382.56 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenoxysilylpropane-1-thiol is sourced from PubChem (CID 22019778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).