39-dichlorosilylnonatriacontane-1-thiol

C39H80Cl2SSi — CID 173135912

IUPAC39-dichlorosilylnonatriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C39H80Cl2SSi/c40-43(41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42-43H,1-39H2
InChIKeyQGTZCVWCBXDJFR-UHFFFAOYSA-N
MW680.13 g/mol
LogP16.05
Rot. Bonds39

About 39-dichlorosilylnonatriacontane-1-thiol

39-dichlorosilylnonatriacontane-1-thiol (PubChem CID 173135912) has the molecular formula C39H80Cl2SSi and a molecular weight of 680.13 g/mol. Its IUPAC name is 39-dichlorosilylnonatriacontane-1-thiol.

Molecular Properties

Compound Name39-dichlorosilylnonatriacontane-1-thiol
PubChem CID173135912
Molecular FormulaC39H80Cl2SSi
Molecular Weight680.13 g/mol
Exact Mass678.51
IUPAC Name39-dichlorosilylnonatriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C39H80Cl2SSi/c40-43(41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42-43H,1-39H2
InChIKeyQGTZCVWCBXDJFR-UHFFFAOYSA-N
XLogP16.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds39
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.13
LogP ≤ 516.05
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 39-dichlorosilylnonatriacontane-1-thiol?
The IUPAC name of 39-dichlorosilylnonatriacontane-1-thiol (CID 173135912) is 39-dichlorosilylnonatriacontane-1-thiol.
What is the SMILES notation for 39-dichlorosilylnonatriacontane-1-thiol?
The canonical SMILES for 39-dichlorosilylnonatriacontane-1-thiol is SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of 39-dichlorosilylnonatriacontane-1-thiol?
The InChIKey is QGTZCVWCBXDJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H80Cl2SSi/c40-43(41)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42/h42-43H,1-39H2.
What are the key properties of 39-dichlorosilylnonatriacontane-1-thiol?
39-dichlorosilylnonatriacontane-1-thiol has a molecular weight of 680.13 g/mol, XLogP of 16.05, 39 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 39-dichlorosilylnonatriacontane-1-thiol is sourced from PubChem (CID 173135912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).