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CAS No.: | 87026-45-7 |
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Name: | 4-CHLORO-5-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H7ClN2OS |
Molecular Weight: | 190.653 |
Synonyms: | 4-chloro-5-methoxy-2-methylsulfanyl-pyrimidine;4-chloro-5-methoxy-2-(methylthio)pyrimidine; |
Density: | 1.36g/cm3 |
Melting Point: | 73-77°C |
Boiling Point: | 285.5 °C at 760 mmHg |
Flash Point: | 126.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 60.31000 |
LogP: | 1.86050 |
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The Pyrimidine, 4-chloro-5-methoxy-2-(methylthio)-, with CAS registry number 87026-45-7, has the systematic name of 4-chloro-5-methoxy-2-(methylsulfanyl)pyrimidine. Besides this, it is also called 4-chloro-5-methoxy-2-(methylthio)pyrimidine. And the chemical formula of this chemical is C6H7ClN2OS.
Physical properties of Pyrimidine, 4-chloro-5-methoxy-2-(methylthio)-: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 60.31 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 46.18 cm3; (9)Molar Volume: 139.7 cm3; (10)Polarizability: 18.3×10-24cm3; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.36 g/cm3; (13)Flash Point: 126.5 °C; (14)Enthalpy of Vaporization: 50.35 kJ/mol; (15)Boiling Point: 285.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0048 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)ncc1OC
(2)InChI: InChI=1/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
(3)InChIKey: SWERHXRSRVRUFG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
(5)Std. InChIKey: SWERHXRSRVRUFG-UHFFFAOYSA-N