1-tetracosylsulfanyltetracosane

C48H98S — CID 14647813

IUPAC1-tetracosylsulfanyltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3
InChIKeyNRIWBHXDNTWPRX-UHFFFAOYSA-N
MW707.38 g/mol
LogP18.92
Rot. Bonds46

About 1-tetracosylsulfanyltetracosane

1-tetracosylsulfanyltetracosane (PubChem CID 14647813) has the molecular formula C48H98S and a molecular weight of 707.38 g/mol. Its IUPAC name is 1-tetracosylsulfanyltetracosane.

Molecular Properties

Compound Name1-tetracosylsulfanyltetracosane
PubChem CID14647813
Molecular FormulaC48H98S
Molecular Weight707.38 g/mol
Exact Mass706.74
IUPAC Name1-tetracosylsulfanyltetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H98S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3
InChIKeyNRIWBHXDNTWPRX-UHFFFAOYSA-N
XLogP18.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds46
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.38
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-tetracosylsulfanyltetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-propylsulfanylhexadecane
CID 19914808

Frequently Asked Questions

What is the IUPAC name of 1-tetracosylsulfanyltetracosane?
The IUPAC name of 1-tetracosylsulfanyltetracosane (CID 14647813) is 1-tetracosylsulfanyltetracosane.
What is the SMILES notation for 1-tetracosylsulfanyltetracosane?
The canonical SMILES for 1-tetracosylsulfanyltetracosane is CCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-tetracosylsulfanyltetracosane?
The InChIKey is NRIWBHXDNTWPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H98S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3.
What are the key properties of 1-tetracosylsulfanyltetracosane?
1-tetracosylsulfanyltetracosane has a molecular weight of 707.38 g/mol, XLogP of 18.92, 46 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetracosylsulfanyltetracosane is sourced from PubChem (CID 14647813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).