ethoxysilane;propane-1-thiol

C5H16OSSi — CID 174804582

IUPACethoxysilane;propane-1-thiol
SMILESCCCS.CCO[SiH3]
InChIInChI=1S/C3H8S.C2H8OSi/c2*1-2-3-4/h4H,2-3H2,1H3;2H2,1,4H3
InChIKeyXPVPGYOKOKEVFK-UHFFFAOYSA-N
MW152.33 g/mol
LogP0.63
Rot. Bonds2

About ethoxysilane;propane-1-thiol

ethoxysilane;propane-1-thiol (PubChem CID 174804582) has the molecular formula C5H16OSSi and a molecular weight of 152.33 g/mol. Its IUPAC name is ethoxysilane;propane-1-thiol.

Molecular Properties

Compound Nameethoxysilane;propane-1-thiol
PubChem CID174804582
Molecular FormulaC5H16OSSi
Molecular Weight152.33 g/mol
Exact Mass152.07
IUPAC Nameethoxysilane;propane-1-thiol
SMILESCCCS.CCO[SiH3]
InChIInChI=1S/C3H8S.C2H8OSi/c2*1-2-3-4/h4H,2-3H2,1H3;2H2,1,4H3
InChIKeyXPVPGYOKOKEVFK-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 173405078
ethoxysilane;hydrogen peroxide
CID 174830541
ethane-1,2-dithiol;propane-1-thiol
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ethoxysilane;trimethoxysilane
CID 158529825
phosphoric acid;propane-1-thiol
CID 22065553
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078
ethoxysilane;trichloro(octadecyl)silane
CID 158053635
(1,2-13C2)ethanethiol
CID 169439901
2-chloroethanethiol;1-chloropropane
CID 142174874
butane-1-thiol;silane
CID 157290532
butane-1-thiol;hydrofluoride
CID 161154336
oct-4-enoxysilane
CID 154119837

Frequently Asked Questions

What is the IUPAC name of ethoxysilane;propane-1-thiol?
The IUPAC name of ethoxysilane;propane-1-thiol (CID 174804582) is ethoxysilane;propane-1-thiol.
What is the SMILES notation for ethoxysilane;propane-1-thiol?
The canonical SMILES for ethoxysilane;propane-1-thiol is CCCS.CCO[SiH3].
What is the InChIKey of ethoxysilane;propane-1-thiol?
The InChIKey is XPVPGYOKOKEVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S.C2H8OSi/c2*1-2-3-4/h4H,2-3H2,1H3;2H2,1,4H3.
What are the key properties of ethoxysilane;propane-1-thiol?
ethoxysilane;propane-1-thiol has a molecular weight of 152.33 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysilane;propane-1-thiol is sourced from PubChem (CID 174804582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).