Pyrimidine, 4-chloro-5-methoxy-2-(methylthio)- supplier

Name
4-CHLORO-5-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE
EINECS
CAS No. 87026-45-7
Article Data10
CAS DataBase
Density 1.36g/cm³
Solubility
Melting Point 73-77°C
Formula C₆H₇ClN₂OS
Boiling Point 285.5 °C at 760 mmHg
Molecular Weight 190.653
Flash Point 126.5 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-chloro-5-methoxy-2-methylsulfanyl-pyrimidine;4-chloro-5-methoxy-2-(methylthio)pyrimidine;
PSA 60.31000
LogP 1.86050

Pyrimidine, 4-chloro-5-methoxy-2-(methylthio)- Specification

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

Product Name

4-CHLORO-5-METHOXY-2-(METHYLSULFANYL)PYRIMIDINE

Pyrimidine, 4-chloro-5-methoxy-2-(methylthio)- Specification

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