2(1H)-Pyridinethione, 6-bromo-
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Basic information
- CAS
856013-03-1- Standard SMILES
S=c1cccc(Br)[nH]1- InChIKey
BATDGXVXVBTVRL-UHFFFAOYSA-N- Molecular formula
- C5H4BrNS
- Average molar mass
- 190.06 g/mol
- Monoisotopic mass
- 188.92478
Names & identifiers
- Preferred name
- 2(1H)-Pyridinethione, 6-bromo-
- IUPAC
- 6-bromo-1H-pyridine-2-thione
- English name
- 6-BroMo-2(1H)-pyridinethione
- Molecular formula
- C5H4BrNS
- Molecular weight
- 190.06
Names & synonyms
856013-03-16-bromo-2(1h)-pyridinethione6-BROMOPYRIDINE-2(1H)-THIONE2(1H)-Pyridinethione, 6-bromo-2-bromo-6-mercaptopyridine6-bromo-1H-pyridine-2-thioneSCHEMBL6258431SCHEMBL14050849AT35366DB-317979
Database identifiers
- CAS
856013-03-1- PubChem CID
- 23202277
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 221.9 · 221.9±50.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 6.97 · 6.97±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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