CAS No.1671-08-5,5-methoxy-2-(methylthio)pyrimidin-4-ol ,97% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1671-08-5
Name:	5-methoxy-2-(methylthio)pyrimidin-4-ol ,97%
Article Data:	9

Formula:	C₆H₈N₂O₂S
Molecular Weight:	172.2049
Synonyms:	4(1H)-Pyrimidinone,5-methoxy-2-(methylthio)- (9CI);4-Pyrimidinol, 5-methoxy-2-(methylthio)-(6CI,7CI,8CI);2-(Methylthio)-4-hydroxy-5-methoxypyrimidine;5-Methoxy-2-(methylsulfanyl)pyrimidin-4-ol;NSC 9316;
Density:	1.36 g/cm³
Melting Point:	197-198 °C(Solv: water, 30% (7732-18-5); ethanol (64-17-5))
Boiling Point:	324 °C at 760 mmHg
Flash Point:	149.7 °C
Risk Codes:	20/21/22
Safety:	36/37
PSA:	80.54000
LogP:	0.91270

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Specification

The 4(3H)-Pyrimidinone,5-methoxy-2-(methylthio)- is an organic compound with the formula C₆H₈N₂O₂S. The IUPAC name of this chemical is 5-Methoxy-2-methylsulfanyl-1H-pyrimidin-6-one. With the CAS registry number 1671-08-5, it is also named as 5-Methoxy-2-(methylsulfanyl)-4-pyrimidinol. Besides, its molecular weight is 172.2049.

Physical properties about 4(3H)-Pyrimidinone,5-methoxy-2-(methylthio)- are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.27; (7)ACD/KOC (pH 7.4): 21.81; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 67.2 Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 43.43 cm³; (14)Molar Volume: 126.4 cm³; (15)Polarizability: 17.21×10^-24 cm³; (16)Surface Tension: 46.3 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 149.7 °C; (19)Enthalpy of Vaporization: 58.85 kJ/mol; (20)Boiling Point: 324 °C at 760 mmHg; (21)Vapour Pressure: 0.000134 mmHg at 25 °C.

Uses of 4(3H)-Pyrimidinone,5-methoxy-2-(methylthio)-: it can be used to produce 4-Chloro-5-methoxy-2-methylsulfanyl-pyrimidine. This reaction is a kind of Chlorination. It will need reagents POCl₃; N,N-dimethylaniline with reaction time of 2 hours. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H8N2O2S/c1-10-4-3-7-6(11-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
(2)InChIKey: PCFMDDLVLHIRNK-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C6H8N2O2S/c1-10-4-3-7-6(11-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
(4)Std. InChIKey: PCFMDDLVLHIRNK-UHFFFAOYSA-N