2-(Methylthio)oxazolo[4,5-b]pyridine supplier

Name
2-(METHYLTHIO)OXAZOLO[4,5-B]PYRIDINE
EINECS
CAS No. 169205-95-2
Article Data14
CAS DataBase
Density 1.356 g/cm³
Solubility
Melting Point 59-62 °C
Formula C₇H₆N₂OS
Boiling Point 288.535 °C at 760 mmHg
Molecular Weight 166.203
Flash Point 128.301 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(Methylthio)[1,3]oxazolo[4,5-b]pyridine;2-(Methylsulfanyl)oxazolo[4,5-b]pyridine;
PSA 64.22000
LogP 1.94470

2-(Methylthio)oxazolo[4,5-b]pyridine Specification

The cas register number of 2-(Methylthio)oxazolo[4,5-b]pyridine is 169205-95-2. It also can be called as 2-(Methylthio)[1,3]oxazolo[4,5-b]pyridine and the Systematic name about this chemical is 2-(methylsulfanyl)[1,3]oxazolo[4,5-b]pyridine.

Physical properties about 2-(Methylthio)oxazolo[4,5-b]pyridine are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 7.97; (5)ACD/BCF (pH 7.4): 7.97; (6)ACD/KOC (pH 5.5): 153.83; (7)ACD/KOC (pH 7.4): 153.83; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 64.22Å²; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 45.02 cm³; (13)Molar Volume: 122.5 cm³; (14)Polarizability: 17.85x10^-24cm³; (15)Surface Tension: 64.4 dyne/cm; (16)Enthalpy of Vaporization: 50.66 kJ/mol; (17)Vapour Pressure: 0.00403 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2oc(nc12)SC
(2)InChI: InChI=1/C7H6N2OS/c1-11-7-9-6-5(10-7)3-2-4-8-6/h2-4H,1H3 CopyCopied
(3)InChIKey: GAIIIUMBUSZYDH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6N2OS/c1-11-7-9-6-5(10-7)3-2-4-8-6/h2-4H,1H3
(5)Std. InChIKey: GAIIIUMBUSZYDH-UHFFFAOYSA-N

Product Name

2-(METHYLTHIO)OXAZOLO[4,5-B]PYRIDINE

2-(Methylthio)oxazolo[4,5-b]pyridine Specification

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