Basic information
- Standard SMILES
COC1(c2ncc(Br)cc2N)C=NS(=O)N1- InChIKey
TXDYNPFZJFMQJA-UHFFFAOYSA-N- Molecular formula
- C8H9BrN4O2S
- Average molar mass
- 305.15 g/mol
- Monoisotopic mass
- 303.96296
Names & identifiers
- Preferred name
- 4-(3-Amino-5-bromopyrid-2-yl)-4-methoxy-1,2,5-thiadiazole-1-oxide
- IUPAC
- 5-bromo-2-(3-methoxy-1-oxo-2H-1,2,5-thiadiazol-3-yl)pyridin-3-amine
Names & synonyms
TXDYNPFZJFMQJA-UHFFFAOYSA-N4-(3-amino-5-bromopyrid-2-yl)-4-methoxy-1,2,5-thiadiazole-1-oxide
Database identifiers
- PubChem CID
- 86743353
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
Loading…