5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol supplier

Name
5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL
EINECS
CAS No. 3690-46-8
Article Data37
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point 231 °C (dec.)
Formula C₇H₅N₃OS
Boiling Point 274.9 °C at 760 mmHg
Molecular Weight 179.202
Flash Point 120.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms D2-1,3,4-Oxadiazoline-5-thione, 2-(3-pyridyl)- (6CI,7CI);5-(3-Pyridinyl)-1,3,4-oxadiazole-2(3H)-thione;WS 103;5-(Pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione;5-Pyridin-3-yl-[1,3,4]oxadiazole-2-thiol;
PSA 90.61000
LogP 1.42030

5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol Specification

The 1,3,4-Oxadiazole-2(3H)-thione,5-(3-pyridinyl)-, with the CAS registry number 3690-46-8, has the systematic name of 5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₅N₃OS.

The characteristics of 1,3,4-Oxadiazole-2(3H)-thione,5-(3-pyridinyl)- are as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -1.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.48; (8)ACD/KOC (pH 7.4): 3.93; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 69.81 Å²; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 47.58 cm³; (15)Molar Volume: 117.4 cm³; (16)Polarizability: 18.86×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 120.1 °C; (20)Enthalpy of Vaporization: 51.34 kJ/mol; (21)Boiling Point: 274.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00524 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it is also harmful if swallowed. What's more, it has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C1O\C(=N/N1)c2cnccc2
(2)InChI: InChI=1/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)
(3)InChIKey: QBLWWQDTKCIRSW-UHFFFAOYAM

Product Name

5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL

5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol Specification

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