Basic information
- CAS
137897-90-6- Standard SMILES
CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=S)[nH]c1=O- InChIKey
VNZBUAWVGRVNPV-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O3S2
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 405.9979401
Names & identifiers
- Preferred name
- 6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracil
- IUPAC
- 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethoxymethyl)-2-sulfanylidenepyrimidin-4-one
Names & synonyms
137897-90-65-Et-3',5'-DiClHEPT-S6-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thiouracilCHEMBL170706-((3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one6-[(3,5-Dichlorophenyl)thio]-5-ethyl-1-[(2-hydroxyethoxy)methyl]-2-thiouracilSCHEMBL8760861DTXSID70160382BDBM500616936-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethoxymethyl)-2-thioxo-pyrimidin-4-one6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydroxy-ethoxymethyl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one6-[(3,5-Dichlorophenyl)sulfanyl]-5-ethyl-1-[(2-hydroxyethoxy)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
137897-90-6- PubChem CID
- 3000367
- DTXSID
DTXSID70160382- ChEMBL
CHEMBL17070- Nikkaji
- J457.575J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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