1,2,6-Hexanetriyl tris(mercaptoacetate)
Basic information
- CAS
19759-80-9- Standard SMILES
O=C(CS)OCCCCC(COC(=O)CS)OC(=O)CS- InChIKey
STZADTBFGAIACP-UHFFFAOYSA-N- Molecular formula
- C12H20O6S3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.04220187
Names & identifiers
- Preferred name
- 1,2,6-Hexanetriyl tris(mercaptoacetate)
- IUPAC
- 5,6-bis[(2-sulfanylacetyl)oxy]hexyl 2-sulfanylacetate
- English name
- 1,2,6-hexanetriyl tris(mercaptoacetate)
- Molecular formula
- C12H20O6S3
- Molecular weight
- 356.48
Names & synonyms
1,2,6-Hexanetriyl tris(mercaptoacetate)19759-80-95,6-bis[(2-sulfanylacetyl)oxy]hexyl 2-sulfanylacetate1,2,6-Hexanetriol trithioglycolateEINECS 243-275-4Hexane-1,2,6-triyl tris(2-mercaptoacetate)SCHEMBL2571504DTXSID70941517STZADTBFGAIACP-UHFFFAOYSA-NHexane-1,2,6-triyl tris(sulfanylacetate)NS00047625Tris(mercaptoacetic acid)1,2,6-hexanetriyl ester
Show more names
Tris(2-mercaptoacetic acid)hexane-1,2,6-triyl esterAcetic acid, 2-mercapto-, ester with 1,2,6-hexanetriol (3:1)
Database identifiers
- CAS
19759-80-9- PubChem CID
- 89215
- DTXSID
DTXSID70941517- EC Number
- 243-275-4
- Nikkaji
- J225.267H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 499.1 · 499.1±45.0 °C(Predicted)
- Density
- 1.281 g/mL · 1.281 g/mL at 25 °C(lit.)
- pka
- 7.8 · 7.80±0.10(Predicted)
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Compound notes
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