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| CAS No.: | 17119-73-2 |
|---|---|
| Name: | 4-Chloro-6-methyl-2-(methylthio)pyrimidine |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C6H7ClN2S |
| Molecular Weight: | 174.654 |
| Synonyms: | NSC 48354;4,6-Dichloro-2-Methylthio Pyrimidine; |
| EINECS: | 228-577-6 |
| Density: | 1.3±0.1 g/cm3 |
| Melting Point: | 37-38℃ |
| Boiling Point: | 266.2±20.0 °C at 760 mmHg |
| Flash Point: | 114.8±21.8 °C |
| Risk Codes: | 22 |
| Safety: | 36/37 |
| PSA: | 51.08000 |
| LogP: | 2.16030 |
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Specification
This chemical is called 4-Chloro-6-methyl-2-(methylthio)pyrimidine, and it can also be named as 4,6-Dichloro-2-Methylthio Pyrimidine. With the molecular formula C6H7ClN2S, its molecular weight is 174.65. The CAS registry number of this chemical is 17119-73-2.
Other characteristics of the 4-Chloro-6-methyl-2-(methylthio)pyrimidine can be summarised as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 51.08 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 44.43 cm3; (9)Molar Volume: 133.3 cm3; (10)Polarizability: 17.61×10-24cm3; (11)Surface Tension: 54.6 dyne/cm; (12)Density: 1.3 g/cm3; (13)Flash Point: 114.8 °C; (14)Enthalpy of Vaporization: 48.39 kJ/mol; (15)Boiling Point: 266.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0144 mmHg at 25°C.
Uses of this chemical: The 4-Chloro-6-methyl-2-(methylthio)pyrimidine can react with dipropylamine, and get the (6-methyl-2-methylsulfanyl-pyrimidin-4-yl)-dipropyl-amine. This reaction needs the solvent of ethanol, and the yield is 80 %. In addition, this reaciton should be taken for 6 hours at the temperature of 88°C. The other condition is stainless steel pressure vessel.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)nc(c1)C
(2)InChI: InChI=1/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
(3)InChIKey: ALMBOXQFPLQVLF-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
(5)Std. InChIKey: ALMBOXQFPLQVLF-UHFFFAOYSA-N