7-dichlorosilylheptane-1-thiol

C7H16Cl2SSi — CID 173136337

IUPAC7-dichlorosilylheptane-1-thiol
SMILESSCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C7H16Cl2SSi/c8-11(9)7-5-3-1-2-4-6-10/h10-11H,1-7H2
InChIKeyYJGXYAXIJAJJFE-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.56
Rot. Bonds7

About 7-dichlorosilylheptane-1-thiol

7-dichlorosilylheptane-1-thiol (PubChem CID 173136337) has the molecular formula C7H16Cl2SSi and a molecular weight of 231.26 g/mol. Its IUPAC name is 7-dichlorosilylheptane-1-thiol.

Molecular Properties

Compound Name7-dichlorosilylheptane-1-thiol
PubChem CID173136337
Molecular FormulaC7H16Cl2SSi
Molecular Weight231.26 g/mol
Exact Mass230.01
IUPAC Name7-dichlorosilylheptane-1-thiol
SMILESSCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C7H16Cl2SSi/c8-11(9)7-5-3-1-2-4-6-10/h10-11H,1-7H2
InChIKeyYJGXYAXIJAJJFE-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 7-dichlorosilylheptane-1-thiol?
The IUPAC name of 7-dichlorosilylheptane-1-thiol (CID 173136337) is 7-dichlorosilylheptane-1-thiol.
What is the SMILES notation for 7-dichlorosilylheptane-1-thiol?
The canonical SMILES for 7-dichlorosilylheptane-1-thiol is SCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of 7-dichlorosilylheptane-1-thiol?
The InChIKey is YJGXYAXIJAJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2SSi/c8-11(9)7-5-3-1-2-4-6-10/h10-11H,1-7H2.
What are the key properties of 7-dichlorosilylheptane-1-thiol?
7-dichlorosilylheptane-1-thiol has a molecular weight of 231.26 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dichlorosilylheptane-1-thiol is sourced from PubChem (CID 173136337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).