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147972-26-7

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Basic Information
CAS No.: 147972-26-7
Name: 2-(Trifluoromethyl)thieno[3,2-d]pyrimidin-4-ol
Molecular Structure:
Molecular Structure of 147972-26-7 (2-(Trifluoromethyl)thieno[3,2-d]pyrimidin-4-ol)
Formula: C7H3F3N2OS
Molecular Weight: 220.17
Synonyms: 2-(Trifluoromethyl)thieno[3,2-d]pyrimidin-4(3H)-one;
Density: 1.78 g/cm3
PSA: 73.99000
LogP: 2.00340
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Specification

The CAS registry number of 2-(Trifluoromethyl)thieno[3,2-d]pyrimidin-4-ol is 147972-26-7. This chemical's molecular formula is C7H3F3N2OS and molecular weight is 220.17. Its systematic name is called 2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4(3H)-one.

Physical properties of this chemical: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 16.56; (6)ACD/BCF (pH 7.4): 15.29; (7)ACD/KOC (pH 5.5): 259.43; (8)ACD/KOC (pH 7.4): 239.51; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 44.61 cm3; (14)Molar Volume: 123.5 cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.78 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1NC(=Oc2sccc2N=1
(2)InChI: InChI=1/C7H3F3N2OS/c8-7(9,10)6-11-3-1-2-14-4(3)5(13)12-6/h1-2H,(H,11,12,13)
(3)nChIKey: HQOYCMNAXBKANH-UHFFFAOYAX