Basic information
- CAS
62880-70-0- Standard SMILES
CCSc1ncc(Br)c(SCC)n1- InChIKey
HTQWQQVKFIIZSM-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2S2
- Average molar mass
- 279.2 g/mol
- Monoisotopic mass
- 277.9547
Names & identifiers
- Preferred name
- 5-Bromo-2,4-bis(ethylsulfanyl)pyrimidine
- IUPAC
- 5-bromo-2,4-bis(ethylsulfanyl)pyrimidine
Names & synonyms
62880-70-05-Bromo-2,4-bis(ethylsulfanyl)pyrimidinePyrimidine, 5-bromo-2,4-bis(ethylthio)-DTXSID208044215-Bromo-2,4-bis(ethylthio)pyrimidine
Database identifiers
- CAS
62880-70-0- PubChem CID
- 71382012
- DTXSID
DTXSID20804421
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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