tetracosane-1,24-dithiol

C24H50S2 — CID 87293915

IUPACtetracosane-1,24-dithiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C24H50S2/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/h25-26H,1-24H2
InChIKeyJIWRLSMWABVPHK-UHFFFAOYSA-N
MW402.80 g/mol
LogP9.43
Rot. Bonds23

About tetracosane-1,24-dithiol

tetracosane-1,24-dithiol (PubChem CID 87293915) has the molecular formula C24H50S2 and a molecular weight of 402.80 g/mol. Its IUPAC name is tetracosane-1,24-dithiol.

Molecular Properties

Compound Nametetracosane-1,24-dithiol
PubChem CID87293915
Molecular FormulaC24H50S2
Molecular Weight402.80 g/mol
Exact Mass402.34
IUPAC Nametetracosane-1,24-dithiol
SMILESSCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C24H50S2/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/h25-26H,1-24H2
InChIKeyJIWRLSMWABVPHK-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetracosane-1,24-dithiol?
The IUPAC name of tetracosane-1,24-dithiol (CID 87293915) is tetracosane-1,24-dithiol.
What is the SMILES notation for tetracosane-1,24-dithiol?
The canonical SMILES for tetracosane-1,24-dithiol is SCCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of tetracosane-1,24-dithiol?
The InChIKey is JIWRLSMWABVPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S2/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/h25-26H,1-24H2.
What are the key properties of tetracosane-1,24-dithiol?
tetracosane-1,24-dithiol has a molecular weight of 402.80 g/mol, XLogP of 9.43, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosane-1,24-dithiol is sourced from PubChem (CID 87293915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).