Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-2-(methylthio)pyrimidine-5-carboxaldehyde |
EINECS | N/A |
CAS No. | 770-31-0 | Density | 1.37 g/cm3 |
PSA | 94.17000 | LogP | 1.17440 |
Solubility | N/A | Melting Point |
183-184 °C |
Formula | C6H7N3OS | Boiling Point | 379.7 °C at 760 mmHg |
Molecular Weight | 169.207 | Flash Point | 183.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-2-(methylthio)pyrimidine-5-carboxaldehyde;5-Pyrimidinecarboxaldehyde, 4-amino-2-(methylthio)-;4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde; |
Article Data | 43 |
The 4-Amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde, with the CAS registry number 770-31-0, is also called 5-Pyrimidinecarboxaldehyde, 4-amino-2-(methylthio)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H7N3OS.
The characteristics of 4-Amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde are as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.71; (8)ACD/KOC (pH 7.4): 26.99; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.39 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 43.57 cm3; (15)Molar Volume: 122.9 cm3; (16)Polarizability: 17.27×10-24cm3; (17)Surface Tension: 75.4 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 62.78 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 5.75E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cnc(SC)nc1N
(2)InChI: InChI=1/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
(3)InChIKey: FGONQMFYFJRAIG-UHFFFAOYAV