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CAS No.: | 56844-38-3 |
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Name: | 2,4-Dichloro-5-methyl-thieno[2,3-d]pyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4Cl2N2S |
Molecular Weight: | 219.094 |
Synonyms: | IFLAB-BB F2108-0311;Thieno[2,3-d]pyrimidine, 2,4-dichloro-5-methyl-; |
Density: | 1.568 g/cm3 |
Boiling Point: | 293.1±22.0 °C(Predicted) |
PSA: | 54.02000 |
LogP: | 3.30650 |
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The 2,4-Dichloro-5-methyl-thieno[2,3-d]pyrimidine, with the CAS registry number 56844-38-3, is also known as Thieno[2,3-d]pyrimidine, 2,4-dichloro-5-methyl-. This chemical's molecular formula is C7H4Cl2N2S and molecular weight is 219.0911. Its systematic name is called 2,4-dichloro-5-methylthieno[2,3-d]pyrimidine.
Physical properties of 2,4-Dichloro-5-methyl-thieno[2,3-d]pyrimidine: (1)ACD/LogP: 4.04; (2)ACD/LogD (pH 5.5): 4.04; (3)ACD/LogD (pH 7.4): 4.04; (4)ACD/BCF (pH 5.5): 687.64; (5)ACD/BCF (pH 7.4): 687.64; (6)ACD/KOC (pH 5.5): 3737.54; (7)ACD/KOC (pH 7.4): 3737.54; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.688; (10)Molar Refractivity: 53.27 cm3; (11)Molar Volume: 139.6 cm3; (12)Surface Tension: 62 dyne/cm; (13)Density: 1.568 g/cm3.
Uses of 2,4-Dichloro-5-methyl-thieno[2,3-d]pyrimidine: it can be used to produce 2-chloro-5-methyl-3,4-dihydro-thieno[2,3-d]pyrimidine at 40 - 50 °C. This reaction will need reagent NaBH4 and solvents CHCl3, ethanol with 14 hours. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc1scc(C)c1c(Cl)n2
(2)InChI: InChI=1/C7H4Cl2N2S/c1-3-2-12-6-4(3)5(8)10-7(9)11-6/h2H,1H3
(3)InChIKey: OIJVRHXVISHQPS-UHFFFAOYAX