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CAS No.: | 16234-40-5 |
---|---|
Name: | 4-AMINO-2-CHLOROTHIENO[3,2-D]PYRIMIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4ClN3S |
Molecular Weight: | 185.637 |
Synonyms: | Thieno[3,2-d]pyrimidine,4-amino-2-chloro- (8CI); |
Density: | 1.632 g/cm3 |
Boiling Point: | 326.0±24.0 °C(Predicted) |
PSA: | 80.04000 |
LogP: | 2.50810 |
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The Thieno[3,2-d]pyrimidin-4-amine, 2-chloro- is an organic compound with the formula C6H4ClN3S. The systematic name of this chemical is 2-Chlorothieno[3,2-d]pyrimidin-4-amine. With the CAS registry number 16234-40-5, it is also named as 4-Amino-2-chlorothieno[3,2-d]pyrimidine. Besides, its molecular weight is 185.63.
Physical properties about Thieno[3,2-d]pyrimidin-4-amine, 2-chloro- are: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.73; (4)ACD/BCF (pH 5.5): 69.98; (5)ACD/BCF (pH 7.4): 70.07; (6)ACD/KOC (pH 5.5): 727.9; (7)ACD/KOC (pH 7.4): 728.89; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 80.04 Å2; (11)Index of Refraction: 1.781; (12)Molar Refractivity: 47.79 cm3; (13)Molar Volume: 113.7 cm3; (14)Polarizability: 18.94×10-24 cm3; (15)Surface Tension: 84 dyne/cm; (16)Density: 1.632 g/cm3.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H4ClN3S/c7-6-9-3-1-2-11-4(3)5(8)10-6/h1-2H,(H2,8,9,10)
(2)InChIKey: XGASPHHTVSWLNM-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C6H4ClN3S/c7-6-9-3-1-2-11-4(3)5(8)10-6/h1-2H,(H2,8,9,10)
(4)Std. InChIKey: XGASPHHTVSWLNM-UHFFFAOYSA-N