1-ethoxy-1-silylpropane-1-thiol

C5H14OSSi — CID 175542584

IUPAC1-ethoxy-1-silylpropane-1-thiol
SMILESCCOC([SiH3])(S)CC
InChIInChI=1S/C5H14OSSi/c1-3-5(7,8)6-4-2/h7H,3-4H2,1-2,8H3
InChIKeyPXFBDUFXPSNNQK-UHFFFAOYSA-N
MW150.32 g/mol
LogP0.38
Rot. Bonds3

About 1-ethoxy-1-silylpropane-1-thiol

1-ethoxy-1-silylpropane-1-thiol (PubChem CID 175542584) has the molecular formula C5H14OSSi and a molecular weight of 150.32 g/mol. Its IUPAC name is 1-ethoxy-1-silylpropane-1-thiol.

Molecular Properties

Compound Name1-ethoxy-1-silylpropane-1-thiol
PubChem CID175542584
Molecular FormulaC5H14OSSi
Molecular Weight150.32 g/mol
Exact Mass150.05
IUPAC Name1-ethoxy-1-silylpropane-1-thiol
SMILESCCOC([SiH3])(S)CC
InChIInChI=1S/C5H14OSSi/c1-3-5(7,8)6-4-2/h7H,3-4H2,1-2,8H3
InChIKeyPXFBDUFXPSNNQK-UHFFFAOYSA-N
XLogP0.38
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.32
LogP ≤ 50.38
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'}

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Related Compounds

1,2,2-triethoxy-1-silylpropane-1-thiol
CID 173082949
(4-ethoxy-2,2,6,6-tetramethylheptan-4-yl)silane
CID 123938104
3-ethoxypentan-3-amine
CID 87385378
1,1-diethoxypropan-1-amine
CID 22735038
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
(1,1-diethoxy-2-methylprop-2-enyl)silane
CID 123449550
[butoxy(diethoxy)methyl]silane
CID 3022902
1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
(3-bromo-1,1,2-triethoxypropyl)silane
CID 123303105
2-ethoxypropan-2-yloxysilane
CID 173032012

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-silylpropane-1-thiol?
The IUPAC name of 1-ethoxy-1-silylpropane-1-thiol (CID 175542584) is 1-ethoxy-1-silylpropane-1-thiol.
What is the SMILES notation for 1-ethoxy-1-silylpropane-1-thiol?
The canonical SMILES for 1-ethoxy-1-silylpropane-1-thiol is CCOC([SiH3])(S)CC.
What is the InChIKey of 1-ethoxy-1-silylpropane-1-thiol?
The InChIKey is PXFBDUFXPSNNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSSi/c1-3-5(7,8)6-4-2/h7H,3-4H2,1-2,8H3.
What are the key properties of 1-ethoxy-1-silylpropane-1-thiol?
1-ethoxy-1-silylpropane-1-thiol has a molecular weight of 150.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-silylpropane-1-thiol is sourced from PubChem (CID 175542584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).