1-EtOMe-6diClPhS-5Et2thio U

HCID 3000403

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 144410-25-3
Standard SMILES: CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=S
InChIKey: ADCROGVPITZTOS-UHFFFAOYSA-N
Molecular formula: C15H16Cl2N2O2S2
Average molar mass: 391.3 g/mol
Monoisotopic mass: 390.0030255

Names & identifiers

Preferred name: 1-EtOMe-6diClPhS-5Et2thio U
IUPAC: 6-(3,5-dichlorophenyl)sulfanyl-1-(ethoxymethyl)-5-ethyl-2-sulfanylidenepyrimidin-4-one
English name: Aids004847
Molecular formula: C15H16Cl2N2O2S2
Molecular weight: 391.34

Names & synonyms

144410-25-31-EtOMe-6diClPhS-5Et2thio UCHEMBL3400496-((3,5-Dichlorophenyl)thio)-1-(ethoxymethyl)-5-ethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneDTXSID40932311BDBM500041256-(3,5-dichlorophenyl)sulfanyl-1-(ethoxymethyl)-5-ethyl-2-thioxo-pyrimidin-4-one6-[(3,5-Dichlorophenyl)sulfanyl]-1-(ethoxymethyl)-5-ethyl-4-hydroxypyrimidine-2(1H)-thione6-(3,5-Dichloro-phenylsulfanyl)-1-ethoxymethyl-5-ethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-oneAids004847Aids-0048475-Ethyl-1-ethoxymethyl-6-[(3,5-dichlorophenyl)thio]uracil

Show more names

4(1H)-Pyrimidinone, 6-[(3,5-dichlorophenyl)thio]-1-(ethoxymethyl)-5-ethyl-2,3-dihydro-2-thioxo-

Database identifiers

CAS: 144410-25-3
PubChem CID: 3000403
DTXSID: DTXSID40932311

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 99 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 492

Physicochemical properties

Density: 1.44 · 1.44±0.1 g/cm3(Predicted)
pka: 6.39 · 6.39±0.43(Predicted)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…