1-tetracosylsulfanyloctacosane

C52H106S — CID 87077758

IUPAC1-tetracosylsulfanyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H106S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-53-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3
InChIKeyODWQKVRXUFURCS-UHFFFAOYSA-N
MW763.49 g/mol
LogP20.48
Rot. Bonds50

About 1-tetracosylsulfanyloctacosane

1-tetracosylsulfanyloctacosane (PubChem CID 87077758) has the molecular formula C52H106S and a molecular weight of 763.49 g/mol. Its IUPAC name is 1-tetracosylsulfanyloctacosane.

Molecular Properties

Compound Name1-tetracosylsulfanyloctacosane
PubChem CID87077758
Molecular FormulaC52H106S
Molecular Weight763.49 g/mol
Exact Mass762.80
IUPAC Name1-tetracosylsulfanyloctacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H106S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-53-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3
InChIKeyODWQKVRXUFURCS-UHFFFAOYSA-N
XLogP20.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds50
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.49
LogP ≤ 520.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
1-propylsulfanylhexadecane
CID 19914808

Frequently Asked Questions

What is the IUPAC name of 1-tetracosylsulfanyloctacosane?
The IUPAC name of 1-tetracosylsulfanyloctacosane (CID 87077758) is 1-tetracosylsulfanyloctacosane.
What is the SMILES notation for 1-tetracosylsulfanyloctacosane?
The canonical SMILES for 1-tetracosylsulfanyloctacosane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-tetracosylsulfanyloctacosane?
The InChIKey is ODWQKVRXUFURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H106S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-32-34-36-38-40-42-44-46-48-50-52-53-51-49-47-45-43-41-39-37-35-33-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3.
What are the key properties of 1-tetracosylsulfanyloctacosane?
1-tetracosylsulfanyloctacosane has a molecular weight of 763.49 g/mol, XLogP of 20.48, 50 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracosylsulfanyloctacosane is sourced from PubChem (CID 87077758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).