octacosane;sulfane

C28H60S — CID 157204687

IUPACoctacosane;sulfane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC.S
InChIInChI=1S/C28H58.H2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H2
InChIKeySOOLZRCTHSTYPV-UHFFFAOYSA-N
MW428.86 g/mol
LogP11.28
Rot. Bonds25

About octacosane;sulfane

octacosane;sulfane (PubChem CID 157204687) has the molecular formula C28H60S and a molecular weight of 428.86 g/mol. Its IUPAC name is octacosane;sulfane.

Molecular Properties

Compound Nameoctacosane;sulfane
PubChem CID157204687
Molecular FormulaC28H60S
Molecular Weight428.86 g/mol
Exact Mass428.44
IUPAC Nameoctacosane;sulfane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC.S
InChIInChI=1S/C28H58.H2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H2
InChIKeySOOLZRCTHSTYPV-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.86
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze octacosane;sulfane 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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of octacosane;sulfane?
The IUPAC name of octacosane;sulfane (CID 157204687) is octacosane;sulfane.
What is the SMILES notation for octacosane;sulfane?
The canonical SMILES for octacosane;sulfane is CCCCCCCCCCCCCCCCCCCCCCCCCCCC.S.
What is the InChIKey of octacosane;sulfane?
The InChIKey is SOOLZRCTHSTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58.H2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3;1H2.
What are the key properties of octacosane;sulfane?
octacosane;sulfane has a molecular weight of 428.86 g/mol, XLogP of 11.28, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacosane;sulfane is sourced from PubChem (CID 157204687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).