8-trichlorosilyloctane-1-thiol

C8H17Cl3SSi — CID 87461786

IUPAC8-trichlorosilyloctane-1-thiol
SMILESSCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3SSi/c9-13(10,11)8-6-4-2-1-3-5-7-12/h12H,1-8H2
InChIKeyUCYFHVOOTUCEQF-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.91
Rot. Bonds8

About 8-trichlorosilyloctane-1-thiol

8-trichlorosilyloctane-1-thiol (PubChem CID 87461786) has the molecular formula C8H17Cl3SSi and a molecular weight of 279.74 g/mol. Its IUPAC name is 8-trichlorosilyloctane-1-thiol.

Molecular Properties

Compound Name8-trichlorosilyloctane-1-thiol
PubChem CID87461786
Molecular FormulaC8H17Cl3SSi
Molecular Weight279.74 g/mol
Exact Mass277.99
IUPAC Name8-trichlorosilyloctane-1-thiol
SMILESSCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3SSi/c9-13(10,11)8-6-4-2-1-3-5-7-12/h12H,1-8H2
InChIKeyUCYFHVOOTUCEQF-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-trichlorosilylpentane-1-thiol
CID 140708886
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
38-[dichloro(methyl)silyl]octatriacontane-1-thiol
CID 87684171
9-[dichloro(methyl)silyl]nonane-1-thiol
CID 87681480
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
trichloro(30-chlorotriacontyl)silane
CID 87686341
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
35-trichlorosilylpentatriacontan-1-ol
CID 87683942
23-trichlorosilyltricosan-1-ol
CID 87680976
38-trichlorosilyloctatriacontan-1-ol
CID 87686206

Frequently Asked Questions

What is the IUPAC name of 8-trichlorosilyloctane-1-thiol?
The IUPAC name of 8-trichlorosilyloctane-1-thiol (CID 87461786) is 8-trichlorosilyloctane-1-thiol.
What is the SMILES notation for 8-trichlorosilyloctane-1-thiol?
The canonical SMILES for 8-trichlorosilyloctane-1-thiol is SCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 8-trichlorosilyloctane-1-thiol?
The InChIKey is UCYFHVOOTUCEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl3SSi/c9-13(10,11)8-6-4-2-1-3-5-7-12/h12H,1-8H2.
What are the key properties of 8-trichlorosilyloctane-1-thiol?
8-trichlorosilyloctane-1-thiol has a molecular weight of 279.74 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trichlorosilyloctane-1-thiol is sourced from PubChem (CID 87461786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).