4-[(Diethoxymethyl)silyl]butane-1-thiol

C9H20O2SSi — CID 78064050

IUPAC—
SMILESCCOC(OCC)[Si]CCCCS
InChIInChI=1S/C9H20O2SSi/c1-3-10-9(11-4-2)13-8-6-5-7-12/h9,12H,3-8H2,1-2H3
InChIKeyFALAXZABGIBPCF-UHFFFAOYSA-N
MW220.41 g/mol
LogP2.18
Rot. Bonds9

About 4-[(Diethoxymethyl)silyl]butane-1-thiol

4-[(Diethoxymethyl)silyl]butane-1-thiol (PubChem CID 78064050) has the molecular formula C9H20O2SSi and a molecular weight of 220.41 g/mol.

Molecular Properties

Compound Name4-[(Diethoxymethyl)silyl]butane-1-thiol
PubChem CID78064050
Molecular FormulaC9H20O2SSi
Molecular Weight220.41 g/mol
Exact Mass220.10
IUPAC Name—
SMILESCCOC(OCC)[Si]CCCCS
InChIInChI=1S/C9H20O2SSi/c1-3-10-9(11-4-2)13-8-6-5-7-12/h9,12H,3-8H2,1-2H3
InChIKeyFALAXZABGIBPCF-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-Mercaptopropyldimethoxymethylsilane
CID 169231
Mercaptopropyldiethoxymethylsilane
CID 53425327
3-(Diethoxymethylsilyl)propane-1-thiol
CID 57348202
3-(Dibutoxymethoxysilyl)propane-1-thiol
CID 154161928
3-[Butoxy(ethoxymethoxy)silyl]propane-1-thiol
CID 170842544
3-(1,1-Dibutoxyethoxysilyl)propane-1-thiol
CID 170842545
CID 53663408
CID 53663408
2-(Diethoxymethylsilyl)ethanethiol
CID 71332101
4-(Diethoxymethylsilyl)butane-1-thiol
CID 71373584
CID 85999686
CID 85999686
CID 87098693
CID 87098693
CID 87098699
CID 87098699

Frequently Asked Questions

What is the IUPAC name of 4-[(Diethoxymethyl)silyl]butane-1-thiol?
The IUPAC name of 4-[(Diethoxymethyl)silyl]butane-1-thiol (CID 78064050) is not available.
What is the SMILES notation for 4-[(Diethoxymethyl)silyl]butane-1-thiol?
The canonical SMILES for 4-[(Diethoxymethyl)silyl]butane-1-thiol is CCOC(OCC)[Si]CCCCS.
What is the InChIKey of 4-[(Diethoxymethyl)silyl]butane-1-thiol?
The InChIKey is FALAXZABGIBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2SSi/c1-3-10-9(11-4-2)13-8-6-5-7-12/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-[(Diethoxymethyl)silyl]butane-1-thiol?
4-[(Diethoxymethyl)silyl]butane-1-thiol has a molecular weight of 220.41 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Diethoxymethyl)silyl]butane-1-thiol is sourced from PubChem (CID 78064050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).