34-chlorotetratriacontane-1-thiol

C34H69ClS — CID 87684163

IUPAC34-chlorotetratriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C34H69ClS/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h36H,1-34H2
InChIKeyWBYMLYXKKRHVCL-UHFFFAOYSA-N
MW545.45 g/mol
LogP13.64
Rot. Bonds33

About 34-chlorotetratriacontane-1-thiol

34-chlorotetratriacontane-1-thiol (PubChem CID 87684163) has the molecular formula C34H69ClS and a molecular weight of 545.45 g/mol. Its IUPAC name is 34-chlorotetratriacontane-1-thiol.

Molecular Properties

Compound Name34-chlorotetratriacontane-1-thiol
PubChem CID87684163
Molecular FormulaC34H69ClS
Molecular Weight545.45 g/mol
Exact Mass544.48
IUPAC Name34-chlorotetratriacontane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C34H69ClS/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h36H,1-34H2
InChIKeyWBYMLYXKKRHVCL-UHFFFAOYSA-N
XLogP13.64
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.45
LogP ≤ 513.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 34-chlorotetratriacontane-1-thiol?
The IUPAC name of 34-chlorotetratriacontane-1-thiol (CID 87684163) is 34-chlorotetratriacontane-1-thiol.
What is the SMILES notation for 34-chlorotetratriacontane-1-thiol?
The canonical SMILES for 34-chlorotetratriacontane-1-thiol is SCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCl.
What is the InChIKey of 34-chlorotetratriacontane-1-thiol?
The InChIKey is WBYMLYXKKRHVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69ClS/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h36H,1-34H2.
What are the key properties of 34-chlorotetratriacontane-1-thiol?
34-chlorotetratriacontane-1-thiol has a molecular weight of 545.45 g/mol, XLogP of 13.64, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 34-chlorotetratriacontane-1-thiol is sourced from PubChem (CID 87684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).