5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
Basic information
- CAS
123027-54-3- Standard SMILES
O=c1[nH]c(=O)n(COCCO)c(Sc2ccccc2)c1Cl- InChIKey
XVLLTVWETVJGPU-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O4S
- Average molar mass
- 328.77 g/mol
- Monoisotopic mass
- 328.0284558
Names & identifiers
- Preferred name
- 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
- IUPAC
- 5-chloro-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
5-Cl-HEPU123027-54-35-Chloro-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil5-Chloro-1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)uracilCHEMBL310743DTXSID101538395-chloro-1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione5-Chloro-1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
123027-54-3- PubChem CID
- 452071
- DTXSID
DTXSID10153839- ChEMBL
CHEMBL310743- Nikkaji
- J253.570J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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