butoxy(sulfanyl)silane

C4H12OSSi — CID 123915407

IUPACbutoxy(sulfanyl)silane
SMILESCCCCO[SiH2]S
InChIInChI=1S/C4H12OSSi/c1-2-3-4-5-7-6/h6H,2-4,7H2,1H3
InChIKeyDFYJMOQOCABSOK-UHFFFAOYSA-N
MW136.29 g/mol
LogP0.73
Rot. Bonds4

About butoxy(sulfanyl)silane

butoxy(sulfanyl)silane (PubChem CID 123915407) has the molecular formula C4H12OSSi and a molecular weight of 136.29 g/mol. Its IUPAC name is butoxy(sulfanyl)silane.

Molecular Properties

Compound Namebutoxy(sulfanyl)silane
PubChem CID123915407
Molecular FormulaC4H12OSSi
Molecular Weight136.29 g/mol
Exact Mass136.04
IUPAC Namebutoxy(sulfanyl)silane
SMILESCCCCO[SiH2]S
InChIInChI=1S/C4H12OSSi/c1-2-3-4-5-7-6/h6H,2-4,7H2,1H3
InChIKeyDFYJMOQOCABSOK-UHFFFAOYSA-N
XLogP0.73
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Butoxysilane
CID 13797389
gamma-Propyl mercaptotrimethoxysilane
CID 137700810
Butoxy(fluoro)silane
CID 153949615
2-Fluorobutoxysilane
CID 173179118
1-Fluorobutoxysilane
CID 175244138
CID 13783510
CID 13783510
Pentoxysilane
CID 13797390
CID 23504485
CID 23504485
CID 54089885
CID 54089885
CID 54285836
CID 54285836
Butoxy-methoxy-oxosilane
CID 88714148
Butoxy(methyl)silane
CID 101533211

Frequently Asked Questions

What is the IUPAC name of butoxy(sulfanyl)silane?
The IUPAC name of butoxy(sulfanyl)silane (CID 123915407) is butoxy(sulfanyl)silane.
What is the SMILES notation for butoxy(sulfanyl)silane?
The canonical SMILES for butoxy(sulfanyl)silane is CCCCO[SiH2]S.
What is the InChIKey of butoxy(sulfanyl)silane?
The InChIKey is DFYJMOQOCABSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12OSSi/c1-2-3-4-5-7-6/h6H,2-4,7H2,1H3.
What are the key properties of butoxy(sulfanyl)silane?
butoxy(sulfanyl)silane has a molecular weight of 136.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(sulfanyl)silane is sourced from PubChem (CID 123915407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).