5-trichlorosilylpentane-1-thiol

C5H11Cl3SSi — CID 140708886

IUPAC5-trichlorosilylpentane-1-thiol
SMILESSCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H11Cl3SSi/c6-10(7,8)5-3-1-2-4-9/h9H,1-5H2
InChIKeyOUUFQLFRJGSOJR-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.74
Rot. Bonds5

About 5-trichlorosilylpentane-1-thiol

5-trichlorosilylpentane-1-thiol (PubChem CID 140708886) has the molecular formula C5H11Cl3SSi and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-trichlorosilylpentane-1-thiol.

Molecular Properties

Compound Name5-trichlorosilylpentane-1-thiol
PubChem CID140708886
Molecular FormulaC5H11Cl3SSi
Molecular Weight237.65 g/mol
Exact Mass235.94
IUPAC Name5-trichlorosilylpentane-1-thiol
SMILESSCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H11Cl3SSi/c6-10(7,8)5-3-1-2-4-9/h9H,1-5H2
InChIKeyOUUFQLFRJGSOJR-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.74
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

8-trichlorosilyloctane-1-thiol
CID 87461786
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
38-trichlorosilyloctatriacontan-1-ol
CID 87686206
trichloro(octyl)silane
CID 21354

Frequently Asked Questions

What is the IUPAC name of 5-trichlorosilylpentane-1-thiol?
The IUPAC name of 5-trichlorosilylpentane-1-thiol (CID 140708886) is 5-trichlorosilylpentane-1-thiol.
What is the SMILES notation for 5-trichlorosilylpentane-1-thiol?
The canonical SMILES for 5-trichlorosilylpentane-1-thiol is SCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 5-trichlorosilylpentane-1-thiol?
The InChIKey is OUUFQLFRJGSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl3SSi/c6-10(7,8)5-3-1-2-4-9/h9H,1-5H2.
What are the key properties of 5-trichlorosilylpentane-1-thiol?
5-trichlorosilylpentane-1-thiol has a molecular weight of 237.65 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trichlorosilylpentane-1-thiol is sourced from PubChem (CID 140708886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).