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| CAS No.: | 185040-32-8 |
|---|---|
| Name: | 4-Methylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde |
| Article Data: | 41 |
| Molecular Structure: | |
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| Formula: | C7H9N3OS |
| Molecular Weight: | 183.234 |
| Synonyms: | 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxaldehyde; |
| Density: | 1.278 g/cm3 |
| Boiling Point: | 377.054 °C at 760 mmHg |
| Flash Point: | 181.836 °C |
| PSA: | 80.18000 |
| LogP: | 1.12570 |
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Specification
The 4-Methylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde, with the CAS registry number 185040-32-8, is also known as 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxaldehyde. It belongs to the product categories of Building Blocks; Pyrimidine. This chemical's molecular formula is C7H9N3OS and molecular weight is 183.2309. What's more, its systematic name is 4-(Methylamino)-2-(methylsulfanyl)pyrimidine-5-carbaldehyde.
Physical properties about 4-Methylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 54; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.18 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 48.233 cm3; (15)Molar Volume: 143.376 cm3; (16)Polarizability: 19.121×10-24 cm3; (17)Surface Tension: 61.108 dyne/cm; (18)Density: 1.278 g/cm3; (19)Flash Point: 181.836 °C; (20)Enthalpy of Vaporization: 62.477 kJ/mol; (21)Boiling Point: 377.054 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cnc(SC)nc1NC
(2) InChI: InChI=1/C7H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3-4H,1-2H3,(H,8,9,10)
(3) InChIKey: WGUCZWYLSKPURM-UHFFFAOYAH