Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)
Basic information
- CAS
33042-07-8- Standard SMILES
N#C[S-].N#C[S-].N#C[S-].[Ti+4].c1cc[cH-]c1- InChIKey
BUELMYFKEUMONF-UHFFFAOYSA-K- Molecular formula
- C8H5N3S3Ti
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 286.9125014
Names & identifiers
- Preferred name
- Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)
- IUPAC
- cyclopenta-1,3-diene;titanium(4+);trithiocyanate
Names & synonyms
DTXSID30954663Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)RefChem:1100164DTXCID30138267633042-07-8pi-Cyclopentadienyltri(thiocyanato)titanium(IV)Titanium(IV), pi-cyclopentadienyltri(thiocyanato)-Tris(thiocyanato)-(eta(sup 5)-cyclopentadienyl)titan(IV) [German]Titanium, (eta(sup 5)-2,4-cyclopentadien-1-yl)tris(thiocyanato-N)-Tris(thiocyanato)-(eta(sup 5)-cyclopentadienyl)titan(IV)
Database identifiers
- CAS
33042-07-8- PubChem CID
- 208797
- DTXSID
DTXSID30954663
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 42.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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