butyl(triethoxy)silane;methanethioic S-acid

C11H26O4SSi — CID 175031462

IUPACbutyl(triethoxy)silane;methanethioic S-acid
SMILESCCCC[Si](OCC)(OCC)OCC.O=CS
InChIInChI=1S/C10H24O3Si.CH2OS/c1-5-9-10-14(11-6-2,12-7-3)13-8-4;2-1-3/h5-10H2,1-4H3;1H,(H,2,3)
InChIKeyPKJNOTBUNNHOOP-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.94
Rot. Bonds9

About butyl(triethoxy)silane;methanethioic S-acid

butyl(triethoxy)silane;methanethioic S-acid (PubChem CID 175031462) has the molecular formula C11H26O4SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is butyl(triethoxy)silane;methanethioic S-acid.

Molecular Properties

Compound Namebutyl(triethoxy)silane;methanethioic S-acid
PubChem CID175031462
Molecular FormulaC11H26O4SSi
Molecular Weight282.48 g/mol
Exact Mass282.13
IUPAC Namebutyl(triethoxy)silane;methanethioic S-acid
SMILESCCCC[Si](OCC)(OCC)OCC.O=CS
InChIInChI=1S/C10H24O3Si.CH2OS/c1-5-9-10-14(11-6-2,12-7-3)13-8-4;2-1-3/h5-10H2,1-4H3;1H,(H,2,3)
InChIKeyPKJNOTBUNNHOOP-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
decyl(trimethoxy)silane;methanethioic S-acid
CID 175033379
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
butyl(triethoxy)silane;tert-butyl(triethoxy)silane
CID 175188929
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814

Frequently Asked Questions

What is the IUPAC name of butyl(triethoxy)silane;methanethioic S-acid?
The IUPAC name of butyl(triethoxy)silane;methanethioic S-acid (CID 175031462) is butyl(triethoxy)silane;methanethioic S-acid.
What is the SMILES notation for butyl(triethoxy)silane;methanethioic S-acid?
The canonical SMILES for butyl(triethoxy)silane;methanethioic S-acid is CCCC[Si](OCC)(OCC)OCC.O=CS.
What is the InChIKey of butyl(triethoxy)silane;methanethioic S-acid?
The InChIKey is PKJNOTBUNNHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3Si.CH2OS/c1-5-9-10-14(11-6-2,12-7-3)13-8-4;2-1-3/h5-10H2,1-4H3;1H,(H,2,3).
What are the key properties of butyl(triethoxy)silane;methanethioic S-acid?
butyl(triethoxy)silane;methanethioic S-acid has a molecular weight of 282.48 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triethoxy)silane;methanethioic S-acid is sourced from PubChem (CID 175031462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).