alpha-Sulfostearic acid
Basic information
- CAS
1115-17-9- Standard SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O- InChIKey
XQITUXIEASXIMZ-UHFFFAOYSA-N- Molecular formula
- C18H36O5S
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22834542
Names & identifiers
- Preferred name
- alpha-Sulfostearic acid
- IUPAC
- 2-sulfooctadecanoic acid
- English name
- 2-Sulfooctadecanoic
- Molecular formula
- C18H36O5S
- Molecular weight
- 364.54
Names & synonyms
Octadecanoic acid, 2-sulfo-1115-17-92-Sulfooctadecanoic2-Sulfostearic acid.alpha.-Sulfostearic acidalpha-Sulfostearic acid34PLM04GZMNSC 5654NSC-5654DTXSID90883647RefChem:555940DTXCID901023155
Show more names
2-Sulfooctadecanoic acidArmosul 18NSC5654a-sulfostearic acidUNII-34PLM04GZMSCHEMBL1158366XQITUXIEASXIMZ-UHFFFAOYSA-N
Database identifiers
- CAS
1115-17-9- PubChem CID
- 94864
- DTXSID
DTXSID90883647- UNII
- 34PLM04GZM
- Nikkaji
- J421.559A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- FDA UNII
- 34 PLM04GZM · 34PLM04GZM
- EPA Substance Registry System
- 2 · 2-Sulfostearic acid (1115-17-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 2-sulfo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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