Basic information
- CAS
139263-49-3- Standard SMILES
O=S(=O)(O)c1cnccn1- InChIKey
ZIQQFKWZKLKSEB-UHFFFAOYSA-N- Molecular formula
- C4H4N2O3S
- Average molar mass
- 160.15 g/mol
- Monoisotopic mass
- 159.99426317
Names & identifiers
- Preferred name
- Pyrazinesulfonic acid
- IUPAC
- pyrazine-2-sulfonic acid
Names & synonyms
139263-49-3Pyrazinesulfonic acidDTXSID50328387RefChem:375958DTXCID80279494pyrazine-2-sulfonic acid2-Pyrazinesulfonic acidSulfopyrazinpyrazine-2-sulfonicacidSCHEMBL329658SCHEMBL329659DB-266669
Database identifiers
- CAS
139263-49-3- PubChem CID
- 409807
- DTXSID
DTXSID50328387
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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