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CAS No.: | 108141-35-1 |
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Name: | 2,4-Dichloro-5-ethylsulfanylmethylpyrimidine |
Molecular Structure: | |
Formula: | C7H8Cl2N2S |
Molecular Weight: | 223.12 |
Synonyms: | 2,4-dichloro-5-[(ethylthio)methyl]pyrimidine;2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine; |
Density: | 1.368g/cm3 |
Boiling Point: | 317.7 °C at 760 mmHg |
Flash Point: | 146 °C |
PSA: | 51.08000 |
LogP: | 3.03650 |
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The 2,4-Dichloro-5-ethylsulfanylmethylpyrimidine with cas registry number of 108141-35-1, is also called 2,4-dichloro-5-[(ethylthio)methyl]pyrimidine.
Physical properties of 2,4-Dichloro-5-ethylsulfanylmethylpyrimidine: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 51.08 Å2; (9)Index of Refraction: 1.581; (10)Molar Refractivity: 54.4 cm3; (11)Molar Volume: 163 cm3; (12)Polarizability: 21.56×10-24cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Enthalpy of Vaporization: 53.69 kJ/mol; (15)Vapour Pressure: 0.000704 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:Clc1nc(Cl)ncc1CSCC; (2)InChI:InChI=1/C7H8Cl2N2S/c1-2-12-4-5-3-10-7(9)11-6(5)8/h3H,2,4H2,1H3; (3)InChIKey:LVMRWJLPIBPOMZ-UHFFFAOYAQ; (4)Std. InChI:InChI=1S/C7H8Cl2N2S/c1-2-12-4-5-3-10-7(9)11-6(5)8/h3H,2,4H2,1H3; (5)Std. InChIKey:LVMRWJLPIBPOMZ-UHFFFAOYSA-N.