Basic information
- CAS
111738-38-6- Standard SMILES
O=S1(=O)NC(=NCc2ccccc2)C(=NCc2ccccc2)N1- InChIKey
UQTGUVLFSCYJIU-UHFFFAOYSA-N- Molecular formula
- C16H16N4O2S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.09939694
Names & identifiers
- Preferred name
- 3,4-Bis(benzylamino)-1H-1lambda~6~,2,5-thiadiazole-1,1-dione
- IUPAC
- 3-N,4-N-dibenzyl-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
Names & synonyms
111738-38-6DTXSID605552233,4-Bis(benzylamino)-1H-1lambda~6~,2,5-thiadiazole-1,1-dione
Database identifiers
- CAS
111738-38-6- PubChem CID
- 136234155
- DTXSID
DTXSID60555223
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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