7-(disulfanyl)tetracosane

C24H50S2 — CID 175109513

IUPAC7-(disulfanyl)tetracosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCC)SS
InChIInChI=1S/C24H50S2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25)22-20-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyNJESBPZOZUAZAB-UHFFFAOYSA-N
MW402.80 g/mol
LogP10.16
Rot. Bonds22

About 7-(disulfanyl)tetracosane

7-(disulfanyl)tetracosane (PubChem CID 175109513) has the molecular formula C24H50S2 and a molecular weight of 402.80 g/mol. Its IUPAC name is 7-(disulfanyl)tetracosane.

Molecular Properties

Compound Name7-(disulfanyl)tetracosane
PubChem CID175109513
Molecular FormulaC24H50S2
Molecular Weight402.80 g/mol
Exact Mass402.34
IUPAC Name7-(disulfanyl)tetracosane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCC)SS
InChIInChI=1S/C24H50S2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25)22-20-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyNJESBPZOZUAZAB-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-heptadecan-8-ylsulfanylheptadecane
CID 54218677
3-nonan-3-ylsulfanylnonane
CID 54313022
6-butylsulfanyldodecane
CID 137401964
3-octan-3-ylsulfanyloctane
CID 15742914
1,2-bis(methylsulfanyl)pentacosane
CID 528999
1,2-bis(methylsulfanyl)octane
CID 54304137
2-(disulfanyl)undecanoic acid
CID 141134251
dodecane-6-thiol
CID 18757094
1-(disulfanyl)octane
CID 18332277
docosane-10,11-dithiol
CID 123269259
hexadecane-6,7-dithiol
CID 91163003
(9S,10S)-octadecane-9,10-dithiol
CID 98118372

Frequently Asked Questions

What is the IUPAC name of 7-(disulfanyl)tetracosane?
The IUPAC name of 7-(disulfanyl)tetracosane (CID 175109513) is 7-(disulfanyl)tetracosane.
What is the SMILES notation for 7-(disulfanyl)tetracosane?
The canonical SMILES for 7-(disulfanyl)tetracosane is CCCCCCCCCCCCCCCCCC(CCCCCC)SS.
What is the InChIKey of 7-(disulfanyl)tetracosane?
The InChIKey is NJESBPZOZUAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-24(26-25)22-20-8-6-4-2/h24-25H,3-23H2,1-2H3.
What are the key properties of 7-(disulfanyl)tetracosane?
7-(disulfanyl)tetracosane has a molecular weight of 402.80 g/mol, XLogP of 10.16, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(disulfanyl)tetracosane is sourced from PubChem (CID 175109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).