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CAS No.: | 147972-27-8 |
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Name: | 4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H2ClF3N2S |
Molecular Weight: | 238.62 |
Synonyms: | Chlorotrifluoromethyl)thienopyrimidine; |
Density: | 1.646 g/cm3 |
Boiling Point: | 165.5±40.0 °C(Predicted) |
PSA: | 54.02000 |
LogP: | 3.36350 |
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The Thieno[3,2-d]pyrimidine,4-chloro-2-(trifluoromethyl)-, with the CAS registry number of 147972-27-8, is also known as Chlorotrifluoromethyl)thienopyrimidine. It belongs to the product category of Chiral chemicals. Its molecular formula is C7H2ClF3N2S and molecular weight is 238.6174. What's more, its systematic name is 4-Chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine.
Physical properties about the Thieno[3,2-d]pyrimidine,4-chloro-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 369; (6)ACD/BCF (pH 7.4): 369; (7)ACD/KOC (pH 5.5): 2394; (8)ACD/KOC (pH 7.4): 2394; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 48.537 cm3; (15)Molar Volume: 144.937 cm3; (16)Surface Tension: 45.118 dyne/cm; (17)Density: 1.646 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nc(Cl)c2sccc2n1
(2) InChI: InChI=1/C7H2ClF3N2S/c8-5-4-3(1-2-14-4)12-6(13-5)7(9,10)11/h1-2H
(3) InChIKey: ZUEIVUWZCAKOPP-UHFFFAOYAQ