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5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-

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Name

5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-

EINECS
CAS No. 89533-28-8 Density 1.45 g/cm3
Solubility Melting Point 250 °C (dec.)
Formula C6H8N4OS Boiling Point 421.2 °C at 760 mmHg
Molecular Weight 184.22 Flash Point 208.5 °C
Transport Information Appearance
Safety 22-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 89533-28-8 (5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-) Hazard Symbols IrritantXi
Synonyms

NSC 14766;NSC 47395;

 

5-Pyrimidinecarboxamide,4-amino-2-(methylthio)- Specification

The 5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-, with the CAS registry number 89533-28-8, is also known as 4-Amino-2-(methylthio)pyrimidine-5-carboxamide, 95+%. This chemical's molecular formula is C6H8N4OS and molecular weight is 184.22. Its systematic name is called 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxamide.

Physical properties of 5-Pyrimidinecarboxamide,4-amino-2-(methylthio)-: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 1.15; (4)ACD/BCF (pH 5.5): 4.37; (5)ACD/BCF (pH 7.4): 4.41; (6)ACD/KOC (pH 5.5): 99.82; (7)ACD/KOC (pH 7.4): 100.64; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.664; (12)Molar Refractivity: 46.97 cm3; (13)Molar Volume: 126.6 cm3; (14)Surface Tension: 88.4 dyne/cm; (15)Density: 1.45 g/cm3; (16)Flash Point: 208.5 °C; (17)Enthalpy of Vaporization: 67.52 kJ/mol; (18)Boiling Point: 421.2 °C at 760 mmHg; (19)Vapour Pressure: 2.66E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(SC)nc1N)N
(2)InChI: InChI=1/C6H8N4OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3,(H2,8,11)(H2,7,9,10)
(3)InChIKey: AONIFFIPDOWSDB-UHFFFAOYAQ

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