2-(3-Bromophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione
Basic information
- CAS
58745-04-3- Standard SMILES
S=c1n(-c2cccc(Br)c2)c(=S)n2n1CCCC2- InChIKey
FKCFUYZFLCIYLJ-UHFFFAOYSA-N- Molecular formula
- C12H12BrN3S2
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 340.9656
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione
- IUPAC
- 2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dithione
Names & synonyms
58745-04-32-(3-bromophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dithione1h-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2h)-dithione, 2-(3-bromophenyl)tetrahydro-SCHEMBL11368584DTXSID30974265
Database identifiers
- CAS
58745-04-3- PubChem CID
- 187939
- DTXSID
DTXSID30974265
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…