1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-
Basic information
- CAS
345631-79-0- Standard SMILES
S=c1nc(-c2cnccn2)[nH]o1- InChIKey
RMIPQHUGPXYCNJ-UHFFFAOYSA-N- Molecular formula
- C6H4N4OS
- Average molar mass
- 180.19 g/mol
- Monoisotopic mass
- 180.01058194
Names & identifiers
- Preferred name
- 1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-
- IUPAC
- 3-pyrazin-2-yl-2H-1,2,4-oxadiazole-5-thione
Names & synonyms
1,2,4-Oxadiazole-5(2H)-thione, 3-pyrazinyl-345631-79-0CHEMBL287090DTXSID10188106AKOS0122539963-pyrazin-2-yl-4H-1,2,4-oxadiazole-5-thione3-(Pyrazin-2-yl)-1,2,4-oxadiazole-5(2H)-thione
Database identifiers
- CAS
345631-79-0- PubChem CID
- 3000453
- DTXSID
DTXSID10188106- ChEMBL
CHEMBL287090- Nikkaji
- J1.541.951B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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