potassium 1-sulfonatosulfanyldodecane

C12H25KO3S2 — CID 23710489

IUPACpotassium 1-sulfonatosulfanyldodecane
SMILESCCCCCCCCCCCCSS(=O)(=O)[O-].[K+]
InChIInChI=1S/C12H26O3S2.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyZYVNUXGBIUZADS-UHFFFAOYSA-M
MW320.56 g/mol
LogP1.10
Rot. Bonds12

About potassium 1-sulfonatosulfanyldodecane

potassium 1-sulfonatosulfanyldodecane (PubChem CID 23710489) has the molecular formula C12H25KO3S2 and a molecular weight of 320.56 g/mol. Its IUPAC name is potassium 1-sulfonatosulfanyldodecane.

Molecular Properties

Compound Namepotassium 1-sulfonatosulfanyldodecane
PubChem CID23710489
Molecular FormulaC12H25KO3S2
Molecular Weight320.56 g/mol
Exact Mass320.09
IUPAC Namepotassium 1-sulfonatosulfanyldodecane
SMILESCCCCCCCCCCCCSS(=O)(=O)[O-].[K+]
InChIInChI=1S/C12H26O3S2.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyZYVNUXGBIUZADS-UHFFFAOYSA-M
XLogP1.10
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

sodium;benzene;1-sulfonatosulfanyldodecane
CID 174431754
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1-sulfosulfanyldodecane
CID 10357698
1-pentylsulfanylsulfonylhexane
CID 89211517
1-hexylsulfonylsulfanylhexane
CID 13183990
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
potassium tridecane-1-sulfonate
CID 23711351
potassium undecane-1-sulfonate
CID 23711356
1-heptylsulfanylsulfonyl-4-methylbenzene
CID 11335169
trihexyl(6-methylsulfonylsulfanylhexyl)azanium bromide
CID 57369205

Frequently Asked Questions

What is the IUPAC name of potassium 1-sulfonatosulfanyldodecane?
The IUPAC name of potassium 1-sulfonatosulfanyldodecane (CID 23710489) is potassium 1-sulfonatosulfanyldodecane.
What is the SMILES notation for potassium 1-sulfonatosulfanyldodecane?
The canonical SMILES for potassium 1-sulfonatosulfanyldodecane is CCCCCCCCCCCCSS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 1-sulfonatosulfanyldodecane?
The InChIKey is ZYVNUXGBIUZADS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O3S2.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 1-sulfonatosulfanyldodecane?
potassium 1-sulfonatosulfanyldodecane has a molecular weight of 320.56 g/mol, XLogP of 1.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-sulfonatosulfanyldodecane is sourced from PubChem (CID 23710489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).