2,4(1H,3H)-Pyrimidinedione, 6-(butylthio)-1-((2-hydroxyethoxy)methyl)-5-methyl-
Basic information
- CAS
125056-73-7- Standard SMILES
CCCCSc1c(C)c(=O)[nH]c(=O)n1COCCO- InChIKey
TZNNJCUFROCSJV-UHFFFAOYSA-N- Molecular formula
- C12H20N2O4S
- Average molar mass
- 288.37 g/mol
- Monoisotopic mass
- 288.1143783
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-(butylthio)-1-((2-hydroxyethoxy)methyl)-5-methyl-
- IUPAC
- 6-butylsulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
125056-73-76BuS-1-(2OHEtOMe)T2,4(1H,3H)-Pyrimidinedione, 6-(butylthio)-1-((2-hydroxyethoxy)methyl)-5-methyl-6-Butylthio-1-((2-hydroxyethoxy)methyl)thymine6-Butylthio-1-[(2-hydroxyethoxy)methyl]thymineCHEMBL326933DTXSID101546046-butylsulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-(Butylsulfanyl)-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
125056-73-7- PubChem CID
- 452899
- DTXSID
DTXSID10154604- ChEMBL
CHEMBL326933- Nikkaji
- J362.128F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…