2-(Ethylsulfanyl)-5-iodopyrimidin-4(3H)-one
Basic information
- CAS
76510-62-8- Standard SMILES
CCSc1ncc(I)c(=O)[nH]1- InChIKey
ZDJKAMOTORCINM-UHFFFAOYSA-N- Molecular formula
- C6H7IN2OS
- Average molar mass
- 282.1 g/mol
- Monoisotopic mass
- 281.93238
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)-5-iodopyrimidin-4(3H)-one
- IUPAC
- 2-ethylsulfanyl-5-iodo-1H-pyrimidin-6-one
Names & synonyms
76510-62-82-(Ethylthio)-5-iodopyrimidin-4(1H)-one2-(Ethylsulfanyl)-5-iodopyrimidin-4(3H)-oneDTXSID30543076
Database identifiers
- CAS
76510-62-8- PubChem CID
- 13530708
- DTXSID
DTXSID30543076
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…