| Identification | More | [Name]
5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL | [CAS]
3004-42-0 | [Synonyms]
2-PHENYL-1,3,4-OXADIAZOL-5-THIOL
5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
5-PHENYL-1,3,4-OXADIAZOL-2-YL HYDROSULFIDE
5-PHENYL-1,3,4-OXADIAZOLE-2(3H)-THIONE
5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL
5-P-TOLYL-1,3,4-OXADIAZOLE-2-THIOL
AKOS BBS-00007238
AKOS TOT-0317
AKOS TOT-0338
ASISCHEM Y67912
ASISCHEM Y91601
CHEMBRDG-BB 4012406
RARECHEM BG FB 0043
2-fenil-5-mercapto-1,3,4-ossadiazolo
2-phenyl-1,3,4-oxadiazole-5-thiol
4-oxadiazole-2(3h)-thione,5-phenyl-3
4-oxadiazole-5-thiol,2-phenyl-3
Phenyl-1,3,4-Oxadiazole-2-thiole,5-
2-mercapto-5-phenyl-1,3,4-oxadiazole
2-Phenyl-5-mercaptooxadiazole. | [EINECS(EC#)]
221-103-9 | [Molecular Formula]
C9H8N2OS | [MDL Number]
MFCD02816988 | [Molecular Weight]
192.24 | [MOL File]
3004-42-0.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
RO0829900
| [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
slightly yellow crystalline powder | [Synthesis]
General procedure for the synthesis of 5-phenyl-1,3,4-oxadiazole-2-thione from carbon disulfide and benzoylhydrazine: a mixture of benzoylhydrazine (0.41 g, 3 mmol), potassium phosphate (1.02 g, 3 mmol) and carbon disulfide (0.23 g, 3 mmol) in water (15 mL) was stirred at room temperature for 10 minutes. The reaction mixture was then heated to reflux for 2 hours. After completion of the reaction, the pH was adjusted to 7 with 1N HCl, the precipitated solid was filtered and dried in vacuum to afford 5-phenyl-1,3,4-oxadiazole-2-thione (0.51 g, 96%) as a white solid. Melting point: 197-199°C (literature value: 199-201°C).1H NMR (400MHz, CDCl3) δ10.52 (broad single peak, 1H), 7.93 (double peak, J=7.2Hz, 2H), 7.42-7.65 (multiple peaks, 3H). | [References]
[1] Tetrahedron, 2012, vol. 68, # 38, p. 7978 - 7983
[2] Patent: CN105837523, 2016, A. Location in patent: Paragraph 0020; 0024
[3] Patent: , 2016, . Location in patent: Paragraph 0018
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 3, p. 481 - 484
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 7, p. 1885 - 1889 |
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