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CAS No.: | 71506-83-7 |
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Name: | 2-CHLORO-4-(METHYLTHIO)-PYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H6ClNS |
Molecular Weight: | 159.64 |
Synonyms: | 2-Chloro-4-(methylthio)pyridine; |
Density: | 1.284 g/cm3 |
Boiling Point: | 248.563 °C at 760 mmHg |
Flash Point: | 104.128 °C |
PSA: | 38.19000 |
LogP: | 2.45690 |
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This chemical is called 2-Chloro-4-(methylthio)pyridine, and its systematic name is 2-chloro-4-(methylsulfanyl)pyridine. With the molecular formula of C6H6ClNS, its molecular weight is 159.64. The CAS registry number of this chemical is 71506-83-7. Additionally, its product category is Pyridines.
Other characteristics of the 2-Chloro-4-(methylthio)pyridine can be summarised as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 248; (8)ACD/KOC (pH 7.4): 248; (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: 1.591; (14)Molar Refractivity: 42.018 cm3; (15)Molar Volume: 124.353 cm3; (16)Polarizability: 16.657×10-24cm3; (17)Surface Tension: 48.843 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 104.128 °C; (20)Enthalpy of Vaporization: 46.61 kJ/mol; (21)Boiling Point: 248.563 °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: CSc1ccnc(Cl)c1
2.InChI: InChI=1/C6H6ClNS/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
3.InChIKey: CCXGNCREYVMEOL-UHFFFAOYAM