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3289-53-0

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Basic Information
CAS No.: 3289-53-0
Name: 6-AMINO-4-METHOXY-2-METHYLTHIOURACIL
Article Data: 12
Molecular Structure:
Molecular Structure of 3289-53-0 (6-AMINO-4-METHOXY-2-METHYLTHIOURACIL)
Formula: C6H9N3OS
Molecular Weight: 171.223
Synonyms: Pyrimidine,4-amino-6-methoxy-2-(methylthio)- (6CI,7CI,8CI);4-Amino-6-methoxy-2-(methylthio)pyrimidine;6-Amino-4-methoxy-2-(methylsulfanyl)pyrimidine;
EINECS: 604-604-1
Density: 1.29 g/cm3
Melting Point: 140-142°C
Boiling Point: 357.4 °C at 760 mmHg
Flash Point: 170 °C
Appearance: Pale Yellow Crystalline Solid
PSA: 86.33000
LogP: 1.37050
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Specification

The 4-Amino-6-methoxy-2-(methylthio)pyrimidine is an organic compound with the formula C6H9N3OS. The systematic name of this chemical is 6-methoxy-2-(methylsulfanyl)pyrimidin-4-amine. The product's categories are Chemical Amines; Amines; Bases & Related Reagents; Heterocycles; Nucleotides; Sulfur & Selenium Compounds. With the CAS registry number 3289-53-0, it is a pale yellow crystalline solid.

Physical properties about 4-Amino-6-methoxy-2-(methylthio)pyrimidine are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.73; (7)ACD/KOC (pH 7.4): 14.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.55 Å2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 44.97 cm3; (14)Molar Volume: 131.9 cm3; (15)Polarizability: 17.82×10-24cm3; (16)Surface Tension: 64.3 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 170 °C; (19)Enthalpy of Vaporization: 60.28 kJ/mol; (20)Boiling Point: 357.4 °C at 760 mmHg; (21)Vapour Pressure: 2.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nc(N)cc(OC)n1)C
(2)InChI: InChI=1/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
(3)InChIKey: FBAYMIJHPUCRMU-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H9N3OS/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
(5)Std. InChIKey: FBAYMIJHPUCRMU-UHFFFAOYSA-N