Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Chloro-4-methyl-6-methylsulfanylpyrimidine |
EINECS | N/A |
CAS No. | 89466-59-1 | Density | 1.3 g/cm3 |
PSA | 51.08000 | LogP | 2.16030 |
Solubility | N/A | Melting Point |
120-122 °C |
Formula | C6H7ClN2S | Boiling Point | 291.9 °C at 760 mmHg |
Molecular Weight | 174.654 | Flash Point | 130.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chlor-4-methylmercapto-6-methyl-pyrimidin;2-CHLORO-4-METHYL-6-METHYLSULFANYL-PYRIMIDINE;Pyrimidine,2-chloro-4-methyl-6-(methylthio);2-Chlor-4-methyl-6-methylmercapto-pyrimidin; |
Article Data | 8 |
The Pyrimidine,2-chloro-4-methyl-6-(methylthio)-, with CAS registry number 89466-59-1, has the systematic name of 2-chloro-4-methyl-6-(methylsulfanyl)pyrimidine. Besides this, it is also called pyrimidine, 2-chloro-4-methyl-6-(methylthio)-. And the chemical formula of this chemical is C6H7ClN2S.
Physical properties of Pyrimidine,2-chloro-4-methyl-6-(methylthio)-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.08; (6)ACD/BCF (pH 7.4): 26.08; (7)ACD/KOC (pH 5.5): 359.22; (8)ACD/KOC (pH 7.4): 359.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 44.43 cm3; (15)Molar Volume: 133.3 cm3; (16)Polarizability: 17.61×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 51.01 kJ/mol; (19)Vapour Pressure: 0.00331 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(SC)nc(Cl)n1
(2)InChI: InChI=1/C6H7ClN2S/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3
(3)InChIKey: GLWCUQHONLZTOE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H7ClN2S/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3
(5)Std. InChIKey: GLWCUQHONLZTOE-UHFFFAOYSA-N