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23766-27-0

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Basic Information
CAS No.: 23766-27-0
Name: 5-(2-CHLORO-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL
Article Data: 43
Molecular Structure:
Molecular Structure of 23766-27-0 (5-(2-CHLORO-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL)
Formula: C8H5ClN2OS
Molecular Weight: 212.659
Synonyms: 1,3,4-Oxadiazole-2-thiol,5-(o-chlorophenyl)- (8CI);D2-1,3,4-Oxadiazoline-5-thione,2-(o-chlorophenyl)- (7CI);5-(2-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thione;5-(2-Chlorophenyl)-2-thioxo-1,3,4-oxadiazoline;NSC 671922;
Density: 1.53 g/cm3
Melting Point: 171-172 °C(Solv: ethanol (64-17-5))
Boiling Point: 285.3 °C at 760 mmHg
Flash Point: 126.3 °C
PSA: 77.72000
LogP: 2.67870
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Specification

The 1,3,4-Oxadiazole-2(3H)-thione,5-(2-chlorophenyl)-, with the CAS registry number 23766-27-0, is also known as 5-(2-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thione. This chemical's molecular formula is C8H5ClN2OS and molecular weight is 212.6561. Its systematic name is called 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-thiol.

Physical properties of 1,3,4-Oxadiazole-2(3H)-thione,5-(2-chlorophenyl)-: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.64; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.705; (12)Molar Refractivity: 53.73 cm3; (13)Molar Volume: 138.2 cm3; (14)Surface Tension: 51.3 dyne/cm; (15)Density: 1.53 g/cm3; (16)Flash Point: 126.3 °C; (17)Enthalpy of Vaporization: 52.43 kJ/mol; (18)Boiling Point: 285.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00283 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1O\C(=N/N1)c2c(Cl)cccc2
(2)InChI: InChI=1/C8H5ClN2OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
(3)InChIKey: AKCRXJLXQXIAPA-UHFFFAOYAU