Thiocyanic acid, 2-(1,3-benzodioxol-5-yl)-6-phenylimidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
Basic information
- CAS
91918-82-0- Standard SMILES
N#CSc1c(-c2ccccc2)nc2sc(-c3ccc4c(c3)OCO4)nn12- InChIKey
LBBOPVNOGORIHW-UHFFFAOYSA-N- Molecular formula
- C18H10N4O2S2
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.02451792
Names & identifiers
- Preferred name
- Thiocyanic acid, 2-(1,3-benzodioxol-5-yl)-6-phenylimidazo(2,1-b)-1,3,4-thiadiazol-5-yl ester
- IUPAC
- [2-(1,3-benzodioxol-5-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl] thiocyanate
Names & synonyms
91918-82-02-(1,3-Benzodioxol-5-yl)-6-phenylimidazo(2,1-b)-1,3,4-thiadiazol-5-yl thiocyanateThiocyanic acid, 2-(1,3-benzodioxol-5-yl)-6-phenylimidazo(2,1-b)-1,3,4-thiadiazol-5-yl esterDTXSID20238787RefChem:385107DTXCID701612782-(2H-1,3-Benzodioxol-5-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl thiocyanate
Database identifiers
- CAS
91918-82-0- PubChem CID
- 3045318
- DTXSID
DTXSID20238787
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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