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Basic Information
CAS No.: 14001-70-8
Name: Pyrimidine, 2-(methylthio)-5-nitro- (8CI,9CI)
Molecular Structure:
Molecular Structure of 14001-70-8 (Pyrimidine, 2-(methylthio)-5-nitro- (8CI,9CI))
Formula: C5H5N3O2S
Molecular Weight: 171.18
Synonyms: NSC 87659;2-Methylsulfanyl-5-nitropyrimidine;
Density: 1.44 g/cm3
Boiling Point: 323.8 °C at 760 mmHg
Flash Point: 149.6 °C
PSA: 96.90000
LogP: 1.62990
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Specification

The Pyrimidine, 2-(methylthio)-5-nitro-, with the CAS registry number 14001-70-8, is also known as NSC 87659. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H5N3O2S and molecular weight is 171.18. What's more, its systematic name is 2-Methylsulfanyl-5-nitropyrimidine.

Physical properties about Pyrimidine, 2-(methylthio)-5-nitro- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 96.9 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 41.02 cm3; (9)Molar Volume: 118.2 cm3; (10)Polarizability: 16.26×10-24 cm3; (11)Surface Tension: 71.8 dyne/cm; (12)Density: 1.44 g/cm3; (13)Flash Point: 149.6 °C; (14)Enthalpy of Vaporization: 54.32 kJ/mol; (15)Boiling Point: 323.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000485 mmHg at 25 °C.

Preparation of Pyrimidine, 2-(methylthio)-5-nitro-: this chemical is prepared by Chlorhydrate de nitro-5 thioureido-2 pyrimidine and Iodomethane by heating. The reaction needs reagent NaOH. The reaction time is 0.5 hour. The yield is about 46 %.

The Pyrimidine, 2-(methylthio)-5-nitro- can be obtained by Chlorhydrate de nitro-5 thioureido-2 pyrimidine and Iodomethane.

Uses of Pyrimidine, 2-(methylthio)-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 2-Methylsulfanyl-5-nitro-pyrimidin-4-ylamine. This reaction needs reagents NH3 and KMnO4. The reaction time is 15 minutes with reaction temperature of -33 °C. The yield is about 72 %.

Pyrimidine, 2-(methylthio)-5-nitro- can be used to produce 2-Methylsulfanyl-5-nitro-pyrimidin-4-ylamine.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cnc(SC)nc1
(2) InChI: InChI=1/C5H5N3O2S/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
(3) InChIKey: APNBIRVIHOWZRZ-UHFFFAOYAW