Basic information
- CAS
15015-81-3- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)O- InChIKey
SSILHZFTFWOUJR-UHFFFAOYSA-N- Molecular formula
- C16H34O3S
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.22286612
Overview
Hexadecane-1-sulfonic acid is an alkanesulfonic acid. It is a conjugate acid of a hexadecane-1-sulfonate.
Names & identifiers
- Preferred name
- 1-Hexadecanesulfonic acid
- IUPAC
- hexadecane-1-sulfonic acid
- English name
- hexadecane-1-sulphonic acid
- Molecular formula
- C16H34O3S
- Molecular weight
- 306.50436
Names & synonyms
1-Hexadecanesulfonic acidCetylsulfonic acid6140-88-184694Z0M9PDTXSID6073362hexadecanesulfonatehexadecyl sulfonateRefChem:124729DTXCID2043034228-128-4hexadecane-1-sulfonic acid1-Hexadecanosulfonic Acid
Show more names
Hexadecane-1-sulphonic acid50858-37-2HDShexadecanesulfonic acidUNII-84694Z0M9PEINECS 228-128-4hexadecylsulfonic acidCetylsulfosA currencyure
Database identifiers
- CAS
15015-81-3、6140-88-1- PubChem CID
- 14253
- DTXSID
DTXSID6073362- ChEMBL
CHEMBL1208309- ChEBI
CHEBI:43043- UNII
- 84694Z0M9P
- EC Number
- 228-128-4
- Nikkaji
- J227.323C
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesDensity
Physicochemical properties
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.50(Predicted)
- FDA UNII
- 84694 Z0M9P · 84694Z0M9P
- EPA Substance Registry System
- 1 · 1-Hexadecanesulfonic acid (6140-88-1)
Chemistry & industry
Additional notes
DefinitionChEBI: Hexadecane-1-sulfonic acid is an alkanesulfonic acid. It is a conjugate acid of a hexadecane-1-sulfonate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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