1-sulfosulfanyldodecane

C12H26O3S2 — CID 10357698

IUPAC1-sulfosulfanyldodecane
SMILESCCCCCCCCCCCCSS(=O)(=O)O
InChIInChI=1S/C12H26O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyGKWGCWTWXGUDJF-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.44
Rot. Bonds12

About 1-sulfosulfanyldodecane

1-sulfosulfanyldodecane (PubChem CID 10357698) has the molecular formula C12H26O3S2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-sulfosulfanyldodecane.

Molecular Properties

Compound Name1-sulfosulfanyldodecane
PubChem CID10357698
Molecular FormulaC12H26O3S2
Molecular Weight282.47 g/mol
Exact Mass282.13
IUPAC Name1-sulfosulfanyldodecane
SMILESCCCCCCCCCCCCSS(=O)(=O)O
InChIInChI=1S/C12H26O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChIKeyGKWGCWTWXGUDJF-UHFFFAOYSA-N
XLogP4.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
sulfuric acid;tridecane
CID 91872702
potassium;hydride;1-sulfosulfanylpropane
CID 173418467
1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
potassium 1-sulfonatosulfanyldodecane
CID 23710489
sodium;sulfuric acid;tetradecane
CID 170922474
1-dodecylsulfanylethanesulfonic acid
CID 154112952
sodium;hydride;sulfuric acid;undecane
CID 172996516
2-amino-2-methyl-1-sulfosulfanyloctane
CID 517721
sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754

Frequently Asked Questions

What is the IUPAC name of 1-sulfosulfanyldodecane?
The IUPAC name of 1-sulfosulfanyldodecane (CID 10357698) is 1-sulfosulfanyldodecane.
What is the SMILES notation for 1-sulfosulfanyldodecane?
The canonical SMILES for 1-sulfosulfanyldodecane is CCCCCCCCCCCCSS(=O)(=O)O.
What is the InChIKey of 1-sulfosulfanyldodecane?
The InChIKey is GKWGCWTWXGUDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15).
What are the key properties of 1-sulfosulfanyldodecane?
1-sulfosulfanyldodecane has a molecular weight of 282.47 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfosulfanyldodecane is sourced from PubChem (CID 10357698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).