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CAS No.: | 14080-56-9 |
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Name: | Thieno[2,3-d]pyrimidin-4-amine |
Molecular Structure: | |
Formula: | C6H5N3S |
Molecular Weight: | 151.192 |
Synonyms: | Thieno[2,3-d]pyrimidine,4-amino- (8CI);4-Aminothieno[2,3-d]pyrimidine;Thieno[2,3-d]pyrimidin-4-ylamine; |
Density: | 1.485 g/cm3 |
Melting Point: | 234-236 °C |
Boiling Point: | 346.8 °C at 760 mmHg |
Flash Point: | 163.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26-45 |
PSA: | 80.04000 |
LogP: | 1.85470 |
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This chemical is called Thieno[2,3-d]pyrimidin-4-ylamine, and it can also be named as 4-Aminothieno[2,3-d]pyrimidine. With the molecular formula of C6H5N3S, its molecular weight is 151.19. The CAS registry number of this chemical is 14080-56-9.
Other characteristics of the Thieno[2,3-d]pyrimidin-4-ylamine can be summarised as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 5.19; (7)ACD/KOC (pH 5.5): 89.45; (8)ACD/KOC (pH 7.4): 112.99; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 42.89 cm3; (15)Molar Volume: 101.7 cm3; (16)Polarizability: 17×10-24cm3; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 59.1 kJ/mol; (21)Boiling Point: 346.8 °C at 760 mmHg; (22)Vapour Pressure: 5.62E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1ncnc2sccc12
2.InChI: InChI=1/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
3.InChIKey: DYTQGJLVGDSCLF-UHFFFAOYAB