Basic information
- CAS
68443-96-9- Standard SMILES
CC(C)O.O=C(O)CCS.O=C(O)CCS.O=C(O)CCS.[Ti]- InChIKey
SPRPMVYJBQTHRZ-UHFFFAOYSA-N- Molecular formula
- C12H26O7S3Ti
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.0320074
Names & identifiers
- Preferred name
- Titanium, bis(3-(mercapto-kappaS)propanoato-kappaO)(3-mercaptopropanoato-kappaO)(2-propanolato)-
- IUPAC
- propan-2-ol;tris(3-sulfanylpropanoic acid);titanium
Names & synonyms
Isopropyl tri(3-mercaptopropionyl) titanateEINECS 270-568-4Titanium, (3-mercaptopropanoato-kappaO)bis(3-(mercapto-kappaS)propanoato-kappaO)(2-propanolato)-Titanium, bis(3-(mercapto-kappaS)propanoato-kappaO)(3-mercaptopropanoato-kappaO)(2-propanolato)-RefChem:898428Titanium, bis[3-(mercapto-.kappa.S)propanoato-.kappa.O](3-mercaptopropanoato-.kappa.O)(2-propanolato)-SCHEMBL10582532(3-Mercaptopropionato-O)bis(3-mercaptopropionato-O,S)(propan-2-olato)titanium
Database identifiers
- CAS
68443-96-9- PubChem CID
- 110302
- EC Number
- 270-568-4
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTitanium, bis[3-(mercapto-.kappa.S)propanoato-.kappa.O](3-mercaptopropanoato-.kappa.O)(2-propanolato)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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