24-chlorotetracosane-1-thiol

C24H49ClS — CID 87680940

IUPAC24-chlorotetracosane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C24H49ClS/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26/h26H,1-24H2
InChIKeyJOUJBRVDOYXUTR-UHFFFAOYSA-N
MW405.18 g/mol
LogP9.74
Rot. Bonds23

About 24-chlorotetracosane-1-thiol

24-chlorotetracosane-1-thiol (PubChem CID 87680940) has the molecular formula C24H49ClS and a molecular weight of 405.18 g/mol. Its IUPAC name is 24-chlorotetracosane-1-thiol.

Molecular Properties

Compound Name24-chlorotetracosane-1-thiol
PubChem CID87680940
Molecular FormulaC24H49ClS
Molecular Weight405.18 g/mol
Exact Mass404.32
IUPAC Name24-chlorotetracosane-1-thiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C24H49ClS/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26/h26H,1-24H2
InChIKeyJOUJBRVDOYXUTR-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.18
LogP ≤ 59.74
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 24-chlorotetracosane-1-thiol?
The IUPAC name of 24-chlorotetracosane-1-thiol (CID 87680940) is 24-chlorotetracosane-1-thiol.
What is the SMILES notation for 24-chlorotetracosane-1-thiol?
The canonical SMILES for 24-chlorotetracosane-1-thiol is SCCCCCCCCCCCCCCCCCCCCCCCCCl.
What is the InChIKey of 24-chlorotetracosane-1-thiol?
The InChIKey is JOUJBRVDOYXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49ClS/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26/h26H,1-24H2.
What are the key properties of 24-chlorotetracosane-1-thiol?
24-chlorotetracosane-1-thiol has a molecular weight of 405.18 g/mol, XLogP of 9.74, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-chlorotetracosane-1-thiol is sourced from PubChem (CID 87680940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).