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120208-25-5

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Basic Information
CAS No.: 120208-25-5
Name: Oxazolo[4,5-c]pyridine, 2-(methylthio)-
Article Data: 1
Molecular Structure:
Molecular Structure of 120208-25-5 (Oxazolo[4,5-c]pyridine, 2-(methylthio)-)
Formula: C7H6N2OS
Molecular Weight: 166.203
Density: 1.356 g/cm3
Boiling Point: 306.211 °C at 760 mmHg
Flash Point: 138.992 °C
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Specification

The CAS registry number of 2-(Methylthio)oxazolo[4,5-c]pyridine is 120208-25-5. This chemical is also known as 2-(Methylsulfanyl)[1,3]oxazolo[4,5-c]pyridine and Oxazolo[4,5-c]pyridine, 2-(methylthio)-. Its molecular formula is C7H6N2OS and molecular weight is 166.2003. Its systematic name is called 2-(methylsulfanyl)[1,3]oxazolo[4,5-c]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 131; (8)ACD/KOC (pH 7.4): 131; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 45.029 cm3; (14)Molar Volume: 122.55 cm3; (15)Surface Tension: 64.493 dyne/cm; (16)Density: 1.356 g/cm3; (17)Enthalpy of Vaporization: 52.488 kJ/mol; (18)Vapour Pressure: 0.001 mmHg at 25°C; (19)Boiling Point : 306.211 °C at 760 mmHg; (20) Flash Point : 138.992 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc1oc(nc1c2)SC
(2)InChI: InChI=1/C7H6N2OS/c1-11-7-9-5-4-8-3-2-6(5)10-7/h2-4H,1H3
(3)InChIKey: NARDLOOJGQUXQV-UHFFFAOYAA