S-ethyl 2-bromopyridine-4-carbothioate
Basic information
- Standard SMILES
CCSC(=O)c1ccnc(Br)c1- InChIKey
MGZRUJJLWFDVTE-UHFFFAOYSA-N- Molecular formula
- C8H8BrNOS
- Average molar mass
- 246.13 g/mol
- Monoisotopic mass
- 244.951
Names & identifiers
- Preferred name
- S-ethyl 2-bromopyridine-4-carbothioate
- IUPAC
- S-ethyl 2-bromopyridine-4-carbothioate
Names & synonyms
SCHEMBL7910924MGZRUJJLWFDVTE-UHFFFAOYSA-NS-ethyl 2-bromopyridine-4-carbothioate
Database identifiers
- PubChem CID
- 58579502
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Related reactions
4 records
Compound notes
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