4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane

C14H21NO3S5Si — CID 54109988

IUPAC4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane
SMILESCO[Si](CCCCSSSSc1nc2ccccc2s1)(OC)OC
InChIInChI=1S/C14H21NO3S5Si/c1-16-24(17-2,18-3)11-7-6-10-19-22-23-21-14-15-12-8-4-5-9-13(12)20-14/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyNGKKKSPSQICHLV-UHFFFAOYSA-N
MW439.75 g/mol
LogP5.99
Rot. Bonds12

About 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane

4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane (PubChem CID 54109988) has the molecular formula C14H21NO3S5Si and a molecular weight of 439.75 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane
PubChem CID54109988
Molecular FormulaC14H21NO3S5Si
Molecular Weight439.75 g/mol
Exact Mass438.99
IUPAC Name4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane
SMILESCO[Si](CCCCSSSSc1nc2ccccc2s1)(OC)OC
InChIInChI=1S/C14H21NO3S5Si/c1-16-24(17-2,18-3)11-7-6-10-19-22-23-21-14-15-12-8-4-5-9-13(12)20-14/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyNGKKKSPSQICHLV-UHFFFAOYSA-N
XLogP5.99
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.75
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane 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

2-[4-(1,3-benzothiazol-2-yldisulfanyl)butyldisulfanyl]-1,3-benzothiazole
CID 18349410
2-(13,13,13-triethoxytridecyltetrasulfanyl)-1,3-benzothiazole
CID 151672568
2-(1,3-benzothiazol-2-ylhexasulfanyl)ethyl-tripropoxysilane
CID 54206836
3-[2-(1,3-benzothiazol-2-yltrisulfanyl)-5-methylphenyl]propyl-trimethoxysilane
CID 21479973
3-[2-(1,3-benzothiazol-2-yltrisulfanyl)phenyl]propyl-triethoxysilane
CID 54262910
2-[[(E)-2-methylbut-2-enyl]trisulfanyl]-1,3-benzothiazole
CID 137470114
3-[2-(1,3-benzothiazol-2-ylheptasulfanyl)-5-methylphenyl]propyl-triethoxysilane
CID 21479869
1-(1,3-benzothiazol-2-ylpentasulfanyl)propan-2-yl-trioctoxysilane
CID 54358202
[2-(1,3-benzothiazol-2-yloctasulfanyl)-5-methylphenyl]-trimethoxysilane
CID 21479771
3-(1,3-benzothiazol-2-yldisulfanyl)propanoic acid
CID 54156818
[3-(1,3-benzothiazol-2-yltrisulfanyl)-2-propylphenyl]-trimethoxysilane
CID 21479908
1-(1,3-benzothiazol-2-yltrisulfanyl)propan-2-yl-trioctoxysilane
CID 21479987

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane?
The IUPAC name of 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane (CID 54109988) is 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane?
The canonical SMILES for 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane is CO[Si](CCCCSSSSc1nc2ccccc2s1)(OC)OC.
What is the InChIKey of 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane?
The InChIKey is NGKKKSPSQICHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S5Si/c1-16-24(17-2,18-3)11-7-6-10-19-22-23-21-14-15-12-8-4-5-9-13(12)20-14/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane?
4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane has a molecular weight of 439.75 g/mol, XLogP of 5.99, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yltetrasulfanyl)butyl-trimethoxysilane is sourced from PubChem (CID 54109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).