24-sulfanyltetracosylphosphonic acid

C24H51O3PS — CID 87685471

IUPAC24-sulfanyltetracosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C24H51O3PS/c25-28(26,27)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-29/h29H,1-24H2,(H2,25,26,27)
InChIKeyJOOXQVIGMALTPI-UHFFFAOYSA-N
MW450.71 g/mol
LogP8.68
Rot. Bonds24

About 24-sulfanyltetracosylphosphonic acid

24-sulfanyltetracosylphosphonic acid (PubChem CID 87685471) has the molecular formula C24H51O3PS and a molecular weight of 450.71 g/mol. Its IUPAC name is 24-sulfanyltetracosylphosphonic acid.

Molecular Properties

Compound Name24-sulfanyltetracosylphosphonic acid
PubChem CID87685471
Molecular FormulaC24H51O3PS
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name24-sulfanyltetracosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C24H51O3PS/c25-28(26,27)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-29/h29H,1-24H2,(H2,25,26,27)
InChIKeyJOOXQVIGMALTPI-UHFFFAOYSA-N
XLogP8.68
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 58.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 24-sulfanyltetracosylphosphonic acid 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

7-sulfanylheptylphosphonic acid
CID 87685663
5-phosphonopentylphosphonic acid
CID 2773804
hexylphosphonic acid;octylphosphonic acid
CID 155346901
5-bromopentylphosphonic acid
CID 22708594
19-bromononadecylphosphonic acid
CID 87687011
17-iodoheptadecylphosphonic acid
CID 87684337
38-bromooctatriacontylphosphonic acid
CID 87683541
27-bromoheptacosylphosphonic acid
CID 87683484
11-bromoundecylphosphonic acid
CID 87683960
26-bromohexacosylphosphonic acid
CID 87681118
10-iododecylphosphonic acid
CID 87686645
7-iodoheptylphosphonic acid
CID 87684767

Frequently Asked Questions

What is the IUPAC name of 24-sulfanyltetracosylphosphonic acid?
The IUPAC name of 24-sulfanyltetracosylphosphonic acid (CID 87685471) is 24-sulfanyltetracosylphosphonic acid.
What is the SMILES notation for 24-sulfanyltetracosylphosphonic acid?
The canonical SMILES for 24-sulfanyltetracosylphosphonic acid is O=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 24-sulfanyltetracosylphosphonic acid?
The InChIKey is JOOXQVIGMALTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51O3PS/c25-28(26,27)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-29/h29H,1-24H2,(H2,25,26,27).
What are the key properties of 24-sulfanyltetracosylphosphonic acid?
24-sulfanyltetracosylphosphonic acid has a molecular weight of 450.71 g/mol, XLogP of 8.68, 24 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-sulfanyltetracosylphosphonic acid is sourced from PubChem (CID 87685471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).