2,2',4',6-Tetrakis(ethylsulfanyl)-4,5'-bipyrimidine
Basic information
- CAS
62880-78-8- Standard SMILES
CCSc1cc(-c2cnc(SCC)nc2SCC)nc(SCC)n1- InChIKey
DYROZXGJURKPFQ-UHFFFAOYSA-N- Molecular formula
- C16H22N4S4
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.07273141
Names & identifiers
- Preferred name
- 2,2',4',6-Tetrakis(ethylsulfanyl)-4,5'-bipyrimidine
- IUPAC
- 4-[2,4-bis(ethylsulfanyl)pyrimidin-5-yl]-2,6-bis(ethylsulfanyl)pyrimidine
Names & synonyms
62880-78-82,2',4',6-Tetrakis(ethylsulfanyl)-4,5'-bipyrimidineDTXSID30804417
Database identifiers
- CAS
62880-78-8- PubChem CID
- 71382007
- DTXSID
DTXSID30804417
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…