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Name |
Pyridine, 2-chloro-6-(methylthio)- |
EINECS | N/A |
CAS No. | 77145-64-3 | Density | 1.28 g/cm3 |
PSA | 38.19000 | LogP | 2.45690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6ClNS | Boiling Point | 248.6 °C at 760 mmHg |
Molecular Weight | 159.639 | Flash Point | 104.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-Chloro-2-pyridinyl methyl sulfide; |
Article Data | 8 |
The Pyridine, 2-chloro-6-(methylthio)-, with the CAS registry number 77145-64-3, is also known as 6-Chloro-2-pyridinyl methyl sulfide. This chemical's molecular formula is C6H6ClNS and molecular weight is 159.64. What's more, its systematic name is 2-chloro-6-(methylsulfanyl)pyridine.
Physical properties of Pyridine, 2-chloro-6-(methylthio)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.23; (6)ACD/BCF (pH 7.4): 37.23; (7)ACD/KOC (pH 5.5): 463.55; (8)ACD/KOC (pH 7.4): 463.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.19 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 42.01 cm3; (15)Molar Volume: 124.3 cm3; (16)Polarizability: 16.65×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 104.1 °C; (20)Enthalpy of Vaporization: 46.61 kJ/mol; (21)Boiling Point: 248.6 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)ccc1
(2)Std. InChI: InChI=1S/C6H6ClNS/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
(3)Std. InChIKey: KVYNCXZSIHYSDF-UHFFFAOYSA-N