Decylsulfonic acid
Basic information
- CAS
20283-21-0- Standard SMILES
CCCCCCCCCCS(=O)(=O)O- InChIKey
KVGOXGQSTGQXDD-UHFFFAOYSA-N- Molecular formula
- C10H22O3S
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.12896573
Names & identifiers
- Preferred name
- Decylsulfonic acid
- IUPAC
- decane-1-sulfonic acid
- English name
- 1-Decanesulfonic acid
- Molecular formula
- C10H22O3S
- Molecular weight
- 222.34488
Names & synonyms
DECANE-1-SULFONIC ACIDdecylsulfonic acid1-DECANESULFONIC ACID1-DECANE-SULFONIC-ACIDVUY16B7Z2DUNII-VUY16B7Z2D1-DECYLSULFONIC ACIDDTXSID50174144RefChem:131391DTXCID609663520283-21-0decanesulfonic acid
Show more names
starbld00407171DBSCHEMBL146469SCHEMBL151760SCHEMBL301132orb1697501SCHEMBL7082515SCHEMBL8954181
Database identifiers
- CAS
20283-21-0- PubChem CID
- 49957
- DTXSID
DTXSID50174144- ChEMBL
CHEMBL1208302- UNII
- VUY16B7Z2D
- Nikkaji
- J392.526I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfonic Acids, Alkyl
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 16 B7Z2D · VUY16B7Z2D
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 1-Octanesulfonic acid.
Suppliers
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Related reactions
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Compound notes
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