chempirical

Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate

C8H10N2O3SCAS 53554-29-3214.24 g/mol

Open in Covalent MOL file
OONSNHO
EsterPhenolSulfide

Properties

Molecular formula
C8H10N2O3S
Molar mass
214.24 g/mol
Exact mass
214.0412 Da
Melting point
132–133 °C
logP
1.08Crippen estimate
Polar surface area
72.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

Identifiers

CAS number
53554-29-3
SMILES
CCOC(=O)c1cnc(SC)nc1O
InChIKey
HDIWKNXVBQPJCO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)

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Names and synonyms

10 names
  • 5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester
  • 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester
  • 5-Pyrimidinecarboxylic acid, 4-hydroxy-2-(methylthio)-, ethyl ester
  • Ethyl 2S-methyl-4-hydroxypyrimidine-5-carboxylate
  • 2-Methylmercapto-4-hydroxy-5-carbethoxypyrimidine
  • NSC 104155
  • NSC 43816
  • 4-Hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
  • 4-Hydroxy-2-methylthiopyrimidine-5-carboxylic acid ethyl ester
  • 1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylic acid ethyl ester

Work with Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate

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Similar compounds

Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-069 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-867 % similar Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate38026-46-964 % similar 4-Amino-2-methanethiopyrimidine-5-carboxylic acid ethyl ester776-53-452 % similar Ethyl 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate15400-53-050 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-848 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-245 % similar Ethyl 6-amino-1,2-dihydro-2-thioxo-5-pyrimidinecarboxylate774-07-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acetylsulfanilamide121-61-9 Sulfacetamide144-80-9 Tosylurea1694-06-0 7-Aminodeacetoxycephalosporanic acid22252-43-3 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid26395-99-3 Ethyl 2-(formylamino)-4-thiazoleacetate64987-05-9 Diazald80-11-5

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