3-triethoxysilyloctoxymethanedithioic acid

C15H32O4S2Si — CID 171618553

IUPAC3-triethoxysilyloctoxymethanedithioic acid
SMILESCCCCCC(CCOC(=S)S)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H32O4S2Si/c1-5-9-10-11-14(12-13-16-15(20)21)22(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeyYHBSVBOHAKOCOY-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.61
Rot. Bonds14

About 3-triethoxysilyloctoxymethanedithioic acid

3-triethoxysilyloctoxymethanedithioic acid (PubChem CID 171618553) has the molecular formula C15H32O4S2Si and a molecular weight of 368.64 g/mol. Its IUPAC name is 3-triethoxysilyloctoxymethanedithioic acid.

Molecular Properties

Compound Name3-triethoxysilyloctoxymethanedithioic acid
PubChem CID171618553
Molecular FormulaC15H32O4S2Si
Molecular Weight368.64 g/mol
Exact Mass368.15
IUPAC Name3-triethoxysilyloctoxymethanedithioic acid
SMILESCCCCCC(CCOC(=S)S)[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H32O4S2Si/c1-5-9-10-11-14(12-13-16-15(20)21)22(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeyYHBSVBOHAKOCOY-UHFFFAOYSA-N
XLogP4.61
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-triethoxysilyloctoxymethanedithioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
2-triethoxysilylhexan-1-amine
CID 87125413
CID 87972145
CID 87972145
sodium;dodecoxymethanedithioic acid;hydride
CID 173370356
calcium;butoxymethanedithioic acid;hydride
CID 173442028
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
1-triethoxysilyldecan-1-amine
CID 87463354
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
octyl 2-triethoxysilylpropanoate
CID 141314652
triethoxy-[1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]octan-3-yl]silane
CID 178023193
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
butoxymethanedithioic acid;propanoic acid
CID 174237104

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilyloctoxymethanedithioic acid?
The IUPAC name of 3-triethoxysilyloctoxymethanedithioic acid (CID 171618553) is 3-triethoxysilyloctoxymethanedithioic acid.
What is the SMILES notation for 3-triethoxysilyloctoxymethanedithioic acid?
The canonical SMILES for 3-triethoxysilyloctoxymethanedithioic acid is CCCCCC(CCOC(=S)S)[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-triethoxysilyloctoxymethanedithioic acid?
The InChIKey is YHBSVBOHAKOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4S2Si/c1-5-9-10-11-14(12-13-16-15(20)21)22(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 3-triethoxysilyloctoxymethanedithioic acid?
3-triethoxysilyloctoxymethanedithioic acid has a molecular weight of 368.64 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilyloctoxymethanedithioic acid is sourced from PubChem (CID 171618553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).