1,2,3-Propanetriyl tris(mercaptoacetate)
Basic information
- CAS
14974-53-9- Standard SMILES
O=C(CS)OCC(COC(=O)CS)OC(=O)CS- InChIKey
VSKAJYQVWVOVRT-UHFFFAOYSA-N- Molecular formula
- C9H14O6S3
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 313.99525168
Names & identifiers
- Preferred name
- 1,2,3-Propanetriyl tris(mercaptoacetate)
- IUPAC
- 2,3-bis[(2-sulfanylacetyl)oxy]propyl 2-sulfanylacetate
- English name
- Glyceryl thioglycolate
- Molecular formula
- C9H14O6S3
- Molecular weight
- 314.4
Names & synonyms
1,2,3-Propanetriyl tris(mercaptoacetate)14974-53-9EINECS 239-053-1DTXSID20164375RefChem:71407DTXCID8086866239-053-12,3-bis[(2-sulfanylacetyl)oxy]propyl 2-sulfanylacetatepropane-1,2,3-triyl tris(2-mercaptoacetate)propane-1,2,3-triyl tris(sulfanylacetate)SCHEMBL97661VSKAJYQVWVOVRT-UHFFFAOYSA-N
Show more names
Glyceryl thioglycolateGlyceryl mercaptoacetateThioglycolic acid, glyceryl esterAcetic acid, Mercapto-, 1,2,3-propanetriyl esterTris(mercaptoacetic acid)1,2,3-propanetriyl esterAcetic acid, 2-mercapto-, 1,1',1''-(1,2,3-propanetriyl) ester
NS00024897
Database identifiers
- CAS
14974-53-9- PubChem CID
- 84738
- DTXSID
DTXSID20164375- EC Number
- 239-053-1
- Nikkaji
- J241.367A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 368.2 · 368.2±37.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 7.49 · 7.49±0.10(Predicted)
- EWG's Food Scores
- 2 · 2-5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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