4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo- supplier

Name
6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE
EINECS
CAS No. 7400-05-7
Article Data18
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point > 300°C
Formula C₁₀H₁₇N₃O₃S
Boiling Point
Molecular Weight 259.329
Flash Point
Transport Information
Appearance White crystalline solid
Safety 36/37
Risk Codes 22-40
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidineacetaldehyde,4-amino-6-hydroxy-2-mercapto-, diethyl acetal (6CI,7CI,8CI);6-Amino-5-(2,2-diethoxyethyl)-2-mercaptopyrimidin-4-ol;NSC 59249;
PSA 129.29000
LogP 1.57590

4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo- Specification

The 4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo- is an organic compound with the formula C₁₀H₁₇N₃O₃S. The IUPAC name of this chemical is 6-Amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one. With the CAS registry number 7400-05-7, it is also named as 6-Amino-5-(2,2-diethoxyethyl)-2-mercapto-4-pyrimidinol. The categories of the product are Nucleotides and Nucleosides; Bases and Related Reagents; Intermediates; Nucleotides; Sulfur and Selenium Compounds. Besides, its molecular weight is 259.33. It is white crystalline solid. It can be used as intermediate in the production of thymidine phosphorylase inhibitors.

The physical properties of 4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo- are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 4.44; (5)ACD/BCF (pH 7.4): 3.49; (6)ACD/KOC (pH 5.5): 100.94; (7)ACD/KOC (pH 7.4): 79.33; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 77.34 Å²; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 67.37 cm³; (14)Molar Volume: 202.9 cm³; (15)Polarizability: 26.7×10^-24 cm³; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.27 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1NC(/N)=C(\C(=O)N1)CC(OCC)OCC
(2)InChI: InChI=1/C10H17N3O3S/c1-3-15-7(16-4-2)5-6-8(11)12-10(17)13-9(6)14/h7H,3-5H2,1-2H3,(H4,11,12,13,14,17)
(3)InChIKey: GKSGXTLNGDMLRR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H17N3O3S/c1-3-15-7(16-4-2)5-6-8(11)12-10(17)13-9(6)14/h7H,3-5H2,1-2H3,(H4,11,12,13,14,17)
(5)Std. InChIKey: GKSGXTLNGDMLRR-UHFFFAOYSA-N

Product Name

6-AMINO-5(2,2-DIETHOXYETHYL)-4-HYDROXY-2-MERCAPTOPYRIMIDINE

4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo- Specification

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