potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate

C11H21KN2O3S3Si — CID 102342833

IUPACpotassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate
SMILESCCO[Si](CCCSc1nnc([S-])s1)(OCC)OCC.[K+]
InChIInChI=1S/C11H22N2O3S3Si.K/c1-4-14-20(15-5-2,16-6-3)9-7-8-18-11-13-12-10(17)19-11;/h4-9H2,1-3H3,(H,12,17);/q;+1/p-1
InChIKeyOMOBFMJZFOIINQ-UHFFFAOYSA-M
MW392.69 g/mol
LogP-0.02
Rot. Bonds11

About potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate

potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate (PubChem CID 102342833) has the molecular formula C11H21KN2O3S3Si and a molecular weight of 392.69 g/mol. Its IUPAC name is potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate.

Molecular Properties

Compound Namepotassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate
PubChem CID102342833
Molecular FormulaC11H21KN2O3S3Si
Molecular Weight392.69 g/mol
Exact Mass392.01
IUPAC Namepotassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate
SMILESCCO[Si](CCCSc1nnc([S-])s1)(OCC)OCC.[K+]
InChIInChI=1S/C11H22N2O3S3Si.K/c1-4-14-20(15-5-2,16-6-3)9-7-8-18-11-13-12-10(17)19-11;/h4-9H2,1-3H3,(H,12,17);/q;+1/p-1
InChIKeyOMOBFMJZFOIINQ-UHFFFAOYSA-M
XLogP-0.02
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate 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

5-(2-carboxyethylsulfanyl)-1,3,4-thiadiazole-2-thiolate
CID 170703338
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793
2-butylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154361514
triethoxy-[3-[ethoxy(diethyl)silyl]propyl]silane
CID 87307259
triethoxy-[3-[silyl(3-triethoxysilylpropyl)silyl]propyl]silane
CID 162102309
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-triethoxysilane
CID 3021675
(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethanol
CID 4689343
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805

Frequently Asked Questions

What is the IUPAC name of potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate?
The IUPAC name of potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate (CID 102342833) is potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate.
What is the SMILES notation for potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate?
The canonical SMILES for potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate is CCO[Si](CCCSc1nnc([S-])s1)(OCC)OCC.[K+].
What is the InChIKey of potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate?
The InChIKey is OMOBFMJZFOIINQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22N2O3S3Si.K/c1-4-14-20(15-5-2,16-6-3)9-7-8-18-11-13-12-10(17)19-11;/h4-9H2,1-3H3,(H,12,17);/q;+1/p-1.
What are the key properties of potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate?
potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate has a molecular weight of 392.69 g/mol, XLogP of -0.02, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(3-triethoxysilylpropylsulfanyl)-1,3,4-thiadiazole-2-thiolate is sourced from PubChem (CID 102342833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).