Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine |
EINECS | N/A |
CAS No. | 33097-13-1 | Density | 1.58 g/cm3 |
PSA | 74.87000 | LogP | 2.37698 |
Solubility | N/A | Melting Point |
103-105°C |
Formula | C6H3Cl2N3S | Boiling Point | 367.3 °C at 760 mmHg |
Molecular Weight | 220.082 | Flash Point | 175.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 25-34 |
Molecular Structure | Hazard Symbols | T,C | |
Synonyms |
4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbonitrile;4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbonitrile; |
Article Data | 9 |
The 5-Pyrimidinecarbonitrile,4,6-dichloro-2-(methylthio)- with CAS registry number of 33097-13-1 is also known as 5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine. The IUPAC name is 4,6-Dichloro-2-methylsulfanylpyrimidine-5-carbonitrile. It belongs to product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides; Sulfur & Selenium Compounds. In addition, the formula is C6H3Cl2N3S and the molecular weight is 220.08.
Physical properties about 5-Pyrimidinecarbonitrile,4,6-dichloro-2-(methylthio)- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.37; (5)ACD/BCF (pH 7.4): 9.37; (6)ACD/KOC (pH 5.5): 172.65; (7)ACD/KOC (pH 7.4): 172.65; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.629; (11)Molar Refractivity: 49.21 cm3; (12)Molar Volume: 138.4 cm3; (13)Surface Tension: 76.2 dyne/cm; (14)Density: 1.58 g/cm3; (15)Flash Point: 175.9 °C; (16)Enthalpy of Vaporization: 61.38 kJ/mol; (17)Boiling Point: 367.3 °C at 760 mmHg; (18)Vapour Pressure: 1.38E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES:Clc1nc(SC)nc(Cl)c1C#N
2. InChI:InChI=1/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3
3. InChIKey:GLOOTGZVAHKTJS-UHFFFAOYAA
4. Std. InChI:InChI=1S/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3
5. Std. InChIKey:GLOOTGZVAHKTJS-UHFFFAOYSA-N