Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde |
EINECS | N/A |
CAS No. | 33097-11-9 | Density | 1.57 g/cm3 |
PSA | 68.15000 | LogP | 2.31780 |
Solubility | N/A | Melting Point |
82-84°C |
Formula | C6H4Cl2N2OS | Boiling Point | 327.7 °C at 760 mmHg |
Molecular Weight | 223.083 | Flash Point | 152 °C |
Transport Information | N/A | Appearance | Pale Yellow Solid |
Safety | 36/37 | Risk Codes | 22-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-(Methylthio)-4,6-dichloropyrimidine-5-carboxaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde;4,6-Dichloro-2-methylsulfanylpyrimidine-5-carboxaldehyde; |
Article Data | 19 |
The 4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbaldehyde with the CAS number 33097-11-9 is also called 5-Pyrimidinecarboxaldehyde,4,6-dichloro-2-(methylthio)-. Its molecular formula is C6H4Cl2N2OS. This chemical belongs to the following product categories: (1)Nucleotides and Nucleosides; (2)Bases & Related Reagents; (3)Nucleotides.
The properties of the chemical are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.37; (6)ACD/BCF (pH 7.4): 76.37; (7)ACD/KOC (pH 5.5): 775.19; (8)ACD/KOC (pH 7.4): 775.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.15Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 49.61 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 19.66×10-24cm3; (17)Surface Tension: 68.8 dyne/cm; (18)Enthalpy of Vaporization: 57 kJ/mol; (19)Vapour Pressure: 0.000199 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)nc(Cl)c1C=O
(2)InChI: InChI=1/C6H4Cl2N2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
(3)InChIKey: MRHGOAKYYORQGQ-UHFFFAOYAQ