Basic information
- CAS
136011-43-3- Standard SMILES
CCOCn1c(Sc2ccccc2)c(CC)c(=O)[nH]c1=S- InChIKey
HAPGQEOFYIIJAE-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S2
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.08097017
Names & identifiers
- Preferred name
- 1-Ethoxymethyl-phenylthio-5-ethyl-2-thiouracil
- IUPAC
- 1-(ethoxymethyl)-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
E-EPU-S1-EtOMe-6PhS-5Et2thio U1-Ethoxymethyl-phenylthio-5-ethyl-2-thiouracil136011-43-3CHEMBL422622SCHEMBL7213426DTXSID60159629BDBM500041171-(ethoxymethyl)-5-ethyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-(Ethoxymethyl)-5-ethyl-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one1-Ethoxymethyl-5-ethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
Database identifiers
- CAS
136011-43-3- PubChem CID
- 3000392
- DTXSID
DTXSID60159629- ChEMBL
CHEMBL422622- Nikkaji
- J522.694E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
LogP3.05
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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