Oxazolo[4,5-b]pyridine, 5-methyl-2-(methylthio)- supplier

Name
5-Methyl-2-(methylthio)[1,3]oxazolo[4,5-b]pyridine
EINECS
CAS No. 439608-32-9
Density 1.301 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂OS
Boiling Point 290.974 °C at 760 mmHg
Molecular Weight 180.23
Flash Point 129.777 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-2-(methylthio)oxazolo[4,5-b]pyridine;5-Methyl-2-(methylsulfanyl)[1,3]oxazolo[4,5-b]pyridine;
PSA 64.22000
LogP 2.25310

Oxazolo[4,5-b]pyridine, 5-methyl-2-(methylthio)- Specification

The Oxazolo[4,5-b]pyridine, 5-methyl-2-(methylthio)-, with the CAS registry number 439608-32-9, is also known as 5-Methyl-2-(methylthio)oxazolo[4,5-b]pyridine. This chemical's molecular formula is C₈H₈N₂OS and molecular weight is 180.23. What's more, its systematic name is 5-methyl-2-(methylsulfanyl)[1,3]oxazolo[4,5-b]pyridine.

Physical properties of Oxazolo[4,5-b]pyridine, 5-methyl-2-(methylthio)- are: (1)ACD/LogP: 2.39; (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): 18; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 274; (8)ACD/KOC (pH 7.4): 274; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 49.652 cm³; (15)Molar Volume: 138.565 cm³; (16)Polarizability: 19.684×10^-24cm³; (17)Surface Tension: 59.946 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 129.777 °C; (20)Enthalpy of Vaporization: 50.912 kJ/mol; (21)Boiling Point: 290.974 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2oc(nc2n1)SC
(2)InChI: InChI=1S/C8H8N2OS/c1-5-3-4-6-7(9-5)10-8(11-6)12-2/h3-4H,1-2H3
(3)InChIKey: RCLQQPAEIFKRHI-UHFFFAOYSA-N

Product Name

5-Methyl-2-(methylthio)[1,3]oxazolo[4,5-b]pyridine

Oxazolo[4,5-b]pyridine, 5-methyl-2-(methylthio)- Specification

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