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637354-24-6

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Basic Information
CAS No.: 637354-24-6
Name: 2-METHYLTHIO-4-PYRIDIN-3-YL-PYRIMIDINE
Molecular Structure:
Molecular Structure of 637354-24-6 (2-METHYLTHIO-4-PYRIDIN-3-YL-PYRIMIDINE)
Formula: C10H9N3S
Molecular Weight: 203.268
Synonyms: HMS1443A04;QC-2473;2-Methylthio-4-pyridin-3-yl-pyrimidine;
Boiling Point: 388.646 °C at 760 mmHg
Flash Point: 188.847 °C
PSA: 63.97000
LogP: 2.26050
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Specification

The 2-Methylthio-4-pyridin-3-yl-pyrimidine, with the CAS registry number 637354-24-6, is also known as Pyrimidine, 2-(methylthio)-4-(3-pyridinyl)-. This chemical's molecular formula is C10H9N3S and molecular weight is 203.26. What's more, its systematic name is 2-(Methylsulfanyl)-4-(3-pyridinyl)pyrimidine.

Physical properties of 2-Methylthio-4-pyridin-3-yl-pyrimidine are: (1)ACD/LogP: 1.841; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.73; (6)ACD/BCF (pH 7.4): 14.75; (7)ACD/KOC (pH 5.5): 238.66; (8)ACD/KOC (pH 7.4): 238.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.97 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 57.493 cm3; (15)Molar Volume: 159.193 cm3; (16)Polarizability: 22.792×10-24cm3; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 188.847 °C; (20)Enthalpy of Vaporization: 61.294 kJ/mol; (21)Boiling Point: 388.646 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c2nc(c1cccnc1)ccn2)C
(2)Std. InChI: InChI=1S/C10H9N3S/c1-14-10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7H,1H3
(3)Std. InChIKey: HSHPKFOQRCFEAO-UHFFFAOYSA-N