Thiosulfate
Athanor · official
O3S2-2 · 112.13 g/mol
IUPAC name: dioxido-oxo-sulfanylidene-lambda6-sulfane
Also called hypo, S2O3 2-
Names and identifiers
- IUPAC name
- dioxido-oxo-sulfanylidene-lambda6-sulfane
- Synonyms
- hypo, S2O3 2-, THIOSULFATE ION
+ 23 more
Thiosulphate, Thiosulfate ion(2-), thiosulfate(2-), Thiosulfate (2-), Thiosulphate ion, UNII-LLT6XV39PY, LLT6XV39PY, trioxidosulfidosulfate(2-), THIOSULPHATE ION(2-), CHEBI:16094, THIOSULPHATE (S2O32-), S2O3(2-), trioxido-1kappa(3)O-disulfate(S--S)(2-), (SO3S)(2-), [SO3S](2-), RefChem:56123, sulfurothioate, Thiosulfate (S2O32-), Thiosulfates, DTXSID80932118, DHCDFWKWKRSZHF-UHFFFAOYSA-L, dioxido-oxo-sulfanylidene-lambda6-sulfane, Q410739
- Molecular formula
- O3S2-2
- Empirical formula
- O3S2
- Molecular weight
- 112.13 g/mol
- Exact mass
- 111.92889
- CAS number
- 14383-50-7
- PubChem CID
- 1084
- Canonical SMILES
- [O-]S(=O)(=S)[O-]
- Isomeric SMILES
- [O-]S(=O)(=S)[O-]
- InChI
- InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
- InChIKey
- DHCDFWKWKRSZHF-UHFFFAOYSA-L
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 5
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 4
- Rotatable bonds
- 0
- TPSA (Ų)
- 63.2 computed here · PubChem 104
- Formal charge
- -2
- XLogP3
- 0.2 PubChem
- Complexity
- 82 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C3v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- O42.80%
- S57.20%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -1.01 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.1 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.48 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 112.13
- log P ≤ 5 (Crippen): -1.01
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 4
Passes all four rules.
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: RR Scientific, EvitaChem, 001Chemical.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.