33-dichlorosilyltritriacontane-1-thiol

C33H68Cl2SSi — CID 173135896

IUPAC33-dichlorosilyltritriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C33H68Cl2SSi/c34-37(35)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36/h36-37H,1-33H2
InChIKeyABZWCLOMFMUCRA-UHFFFAOYSA-N
MW595.97 g/mol
LogP13.71
Rot. Bonds33

About 33-dichlorosilyltritriacontane-1-thiol

33-dichlorosilyltritriacontane-1-thiol (PubChem CID 173135896) has the molecular formula C33H68Cl2SSi and a molecular weight of 595.97 g/mol. Its IUPAC name is 33-dichlorosilyltritriacontane-1-thiol.

Molecular Properties

Compound Name33-dichlorosilyltritriacontane-1-thiol
PubChem CID173135896
Molecular FormulaC33H68Cl2SSi
Molecular Weight595.97 g/mol
Exact Mass594.42
IUPAC Name33-dichlorosilyltritriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C33H68Cl2SSi/c34-37(35)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36/h36-37H,1-33H2
InChIKeyABZWCLOMFMUCRA-UHFFFAOYSA-N
XLogP13.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.97
LogP ≤ 513.71
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 33-dichlorosilyltritriacontane-1-thiol?
The IUPAC name of 33-dichlorosilyltritriacontane-1-thiol (CID 173135896) is 33-dichlorosilyltritriacontane-1-thiol.
What is the SMILES notation for 33-dichlorosilyltritriacontane-1-thiol?
The canonical SMILES for 33-dichlorosilyltritriacontane-1-thiol is SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of 33-dichlorosilyltritriacontane-1-thiol?
The InChIKey is ABZWCLOMFMUCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68Cl2SSi/c34-37(35)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36/h36-37H,1-33H2.
What are the key properties of 33-dichlorosilyltritriacontane-1-thiol?
33-dichlorosilyltritriacontane-1-thiol has a molecular weight of 595.97 g/mol, XLogP of 13.71, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 33-dichlorosilyltritriacontane-1-thiol is sourced from PubChem (CID 173135896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).