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2,4-Dichloro-5-ethylsulfanylmethylpyrimidine

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Name

2,4-Dichloro-5-ethylsulfanylmethylpyrimidine

EINECS N/A
CAS No. 108141-35-1 Density 1.368g/cm3
PSA 51.08000 LogP 3.03650
Solubility N/A Melting Point N/A
Formula C7H8Cl2N2S Boiling Point 317.7 °C at 760 mmHg
Molecular Weight 223.12 Flash Point 146 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 108141-35-1 (2,4-Dichloro-5-ethylsulfanylmethylpyrimidine) Hazard Symbols N/A
Synonyms

2,4-dichloro-5-[(ethylthio)methyl]pyrimidine;2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine;

 

2,4-Dichloro-5-ethylsulfanylmethylpyrimidine Specification

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.

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