Basic information
- CAS
111585-59-2- Standard SMILES
S=c1c2ccccc2c(-c2ccccc2)nn1-c1ccccc1- InChIKey
AMGISSVQJFCIIZ-UHFFFAOYSA-N- Molecular formula
- C20H14N2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.08776963
Names & identifiers
- Preferred name
- 1(2H)-Phthalazinethione, 2,4-diphenyl-
- IUPAC
- 2,4-diphenylphthalazine-1-thione
Names & synonyms
1(2H)-Phthalazinethione, 2,4-diphenyl-2,4-Diphenylphthalazine-1(2H)-thione111585-59-2Oprea1_479331DTXSID20350473AKOS0243572012,4-diphenyl-2-hydrophthalazine-1-thioneST50985363
Database identifiers
- CAS
111585-59-2- PubChem CID
- 680337
- DTXSID
DTXSID20350473- Nikkaji
- J1.449.315H
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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