Basic information
- CAS
77148-93-7- Standard SMILES
Br.c1ccc(CSc2ccncc2)cc1- InChIKey
FPIDQZBFUCUCET-UHFFFAOYSA-N- Molecular formula
- C12H12BrNS
- Average molar mass
- 282.2 g/mol
- Monoisotopic mass
- 280.98738
Names & identifiers
- Preferred name
- 4-Benzylsulfanylpyridine;hydrobromide
- IUPAC
- 4-benzylsulfanylpyridine;hydrobromide
Names & synonyms
77148-93-7DTXSID104987524-(Benzylsulfanyl)pyridine--hydrogen bromide (1/1)
Database identifiers
- CAS
77148-93-7- PubChem CID
- 12449297
- DTXSID
DTXSID10498752
Properties
Computed structural properties
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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