4(3H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso- supplier

Name
6-amino-2-(methylsulfanyl)-5-nitrosopyrimidin-4(1H)-one
EINECS
CAS No. 43005-49-8
Article Data5
CAS DataBase
Density 1.79 g/cm³
Solubility
Melting Point
Formula C₅H₆N₄O₂S
Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 186.194
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso- (9CI);4-Amino-1,6-dihydro-2-methylthio-5-nitroso-6-oxopyrimidine;NSC 9304;
PSA
LogP

4(3H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso- Specification

The 4(3H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso-, with the CAS registry number 43005-49-8, has the molecular formula C₅H₆N₄O₂S. Besides, its molecular weight is 186.1917. Its systematic name is called 6-amino-2-(methylsulfanyl)-5-nitrosopyrimidin-4(1H)-one.

Physical properties of 4(3H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso-: (1)ACD/LogP: -0.08; (2)ACD/LogD (pH 5.5): -0.11; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.95; (7)ACD/KOC (pH 7.4): 2.94; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.779; (12)Molar Refractivity: 43.44 cm³; (13)Molar Volume: 103.6 cm³; (14)Surface Tension: 82.5 dyne/cm; (15)Density: 1.79 g/cm³; (16)Flash Point: 121.4 °C; (17)Enthalpy of Vaporization: 51.57 kJ/mol; (18)Boiling Point: 277.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0046 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-amino-2-methylsulfanyl-3H-pyrimidin-4-one. This reaction will need reagent isoamyl nitrite and solvent dimethylsulfoxide. The reaction time is 3.5 hours with reaction temperature of 20 °C. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N\C1=C(\NC(\SC)=N/C1=O)N
(2)InChI: InChI=1/C5H6N4O2S/c1-12-5-7-3(6)2(9-11)4(10)8-5/h1H3,(H3,6,7,8,10)
(3)InChIKey: XKAYRHLZQHITSP-UHFFFAOYAT

Product Name

6-amino-2-(methylsulfanyl)-5-nitrosopyrimidin-4(1H)-one

4(3H)-Pyrimidinone,6-amino-2-(methylthio)-5-nitroso- Specification

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