1-triphenylsilyloxybutane-1-thiol

C22H24OSSi — CID 134938081

IUPAC1-triphenylsilyloxybutane-1-thiol
SMILESCCCC(S)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24OSSi/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,24H,2,12H2,1H3
InChIKeyFEQIYOAUQHTNOO-UHFFFAOYSA-N
MW364.59 g/mol
LogP3.73
Rot. Bonds7

About 1-triphenylsilyloxybutane-1-thiol

1-triphenylsilyloxybutane-1-thiol (PubChem CID 134938081) has the molecular formula C22H24OSSi and a molecular weight of 364.59 g/mol. Its IUPAC name is 1-triphenylsilyloxybutane-1-thiol.

Molecular Properties

Compound Name1-triphenylsilyloxybutane-1-thiol
PubChem CID134938081
Molecular FormulaC22H24OSSi
Molecular Weight364.59 g/mol
Exact Mass364.13
IUPAC Name1-triphenylsilyloxybutane-1-thiol
SMILESCCCC(S)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24OSSi/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,24H,2,12H2,1H3
InChIKeyFEQIYOAUQHTNOO-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-ethyl-2-methyl-3-triphenylsilyloxyheptanal
CID 14843640
(3,5-dimethylphenyl)-diphenyl-propoxysilane
CID 87533547
(1R)-1-phenoxypentane-1-thiol
CID 134536551
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
dimethyl-pentan-3-yloxy-phenylsilane
CID 11345091
[diphenyl(propoxy)silyl]-diphenyl-propoxysilane
CID 4983339
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
[amino-(dimethoxymethyl)-propylsilyl]benzene
CID 174829506
(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol
CID 57408223

Frequently Asked Questions

What is the IUPAC name of 1-triphenylsilyloxybutane-1-thiol?
The IUPAC name of 1-triphenylsilyloxybutane-1-thiol (CID 134938081) is 1-triphenylsilyloxybutane-1-thiol.
What is the SMILES notation for 1-triphenylsilyloxybutane-1-thiol?
The canonical SMILES for 1-triphenylsilyloxybutane-1-thiol is CCCC(S)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-triphenylsilyloxybutane-1-thiol?
The InChIKey is FEQIYOAUQHTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24OSSi/c1-2-12-22(24)23-25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,24H,2,12H2,1H3.
What are the key properties of 1-triphenylsilyloxybutane-1-thiol?
1-triphenylsilyloxybutane-1-thiol has a molecular weight of 364.59 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triphenylsilyloxybutane-1-thiol is sourced from PubChem (CID 134938081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).