Products Categories
| CAS No.: | 38026-46-9 |
|---|---|
| Name: | 5-CARBETHOXY-2-THIOURACIL |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8N2O3S |
| Molecular Weight: | 200.218 |
| Synonyms: | 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thio-, ethyl ester (8CI);2-Mercapto-5-carbethoxyuracil;5-Carbethoxy-2-thiouracil;Ethyl 2-mercapto-4-hydroxypyrimidine-5-carboxylate;NSC 11999;NSC 1584;ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate; |
| EINECS: | 253-749-2 |
| Density: | 1.42 g/cm3 |
| Melting Point: | 249-255 °C |
| Solubility: | 1.596g/L(25 oC) |
| Appearance: | Slightly orange fine crystalline powder |
| Safety: | 24/25 |
| PSA: | 111.11000 |
| LogP: | 0.64760 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- Total:25 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester, with the CAS registry number 38026-46-9, is also known as Ethyl 6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate. It belongs to the product categories of Pyridines; Pyrimidines; Purines and Pteredines. Its EINECS number is 253-749-2. This chemical's molecular formula is C7H8N2O3S and molecular weight is 200.22. What's more, its systematic name is ethyl 4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Additionally, it should be sealed and stored in cool and dry places.
Physical properties of 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17.8; (6)ACD/KOC (pH 7.4): 4.89; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 81.94 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 48.48 cm3; (13)Molar Volume: 140.4 cm3; (14)Polarizability: 19.21×10-24 cm3; (15)Surface Tension: 64.7 dyne/cm; (16)Density: 1.42 g/cm3.
Uses of 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester: it can be used to produce 2-benzylsulfanyl-4-hydroxy-pyrimidine-5-carboxylic acid ethyl ester by heating. It will need reagent NaOEt and solvent ethanol with the reaction time of 3 hours. The yield is about 62%.
.jpg)
When you are using this chemical, please be cautious about it as the following:
You should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1C(\C(=O)OCC)=C/NC(=S)N1
(2)InChI: InChI=1/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)
(3)InChIKey: FQFSHLBWRUOCPX-UHFFFAOYAP
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD691-490, |