Product Name

  • Name

    5-ETHYLSULFANYLMETHYLURACIL

  • EINECS
  • CAS No. 4874-41-3
  • Article Data2
  • CAS DataBase
  • Density 1.234 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H10N2O2S
  • Boiling Point
  • Molecular Weight 186.235
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4874-41-3 (5-ETHYLSULFANYLMETHYLURACIL)
  • Hazard Symbols
  • Synonyms Uracil,5-[(ethylthio)methyl]- (7CI,8CI);5-Ethylthiomethyluracil;NSC 529451;
  • PSA 91.02000
  • LogP 0.31630

2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]- Specification

The 2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]-, with the CAS registry number 4874-41-3, is also known as NSC529451. This chemical's molecular formula is C7H10N2O2S and molecular weight is 186.2315. Its IUPAC name is called 5-(ethylsulfanylmethyl)-1H-pyrimidine-2,4-dione.

Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]-: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.534; (7)Molar Refractivity: 46.96 cm3; (8)Molar Volume: 150.8 cm3; (9)Surface Tension: 41.9 dyne/cm; (10)Density: 1.234 g/cm3.

Preparation of 2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]-: this chemical can be prepared by 5-chloromethyl-1H-pyrimidine-2,4-dione and ethanethiol. This reaction will need reagent sodium hydride and solvent dimethylformamide. The yield is about 95%.

2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]- can be prepared by 5-chloromethyl-1H-pyrimidine-2,4-dione and ethanethiol

Uses of 2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]-: it can be used to produce 2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine by heating. This reaction will need reagents POCl3 and diethylaniline. The yield is about 95%.

2,4(1H,3H)-Pyrimidinedione,5-[(ethylthio)methyl]- can be used to produce 2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCSCC1=CNC(=O)NC1=O
(2)InChI: InChI=1S/C7H10N2O2S/c1-2-12-4-5-3-8-7(11)9-6(5)10/h3H,2,4H2,1H3,(H2,8,9,10,11)
(3)InChIKey: OBJVUGWTTIGEIY-UHFFFAOYSA-N

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