5-(3,4-Dichlorobenzyl)-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-(3,4-Dichlorobenzyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 306936-93-6
• Molecular Formula: C9H6 Cl2 N2 O S
• Molecular Weight: 261.13
• DSSTox Substance ID: DTXSID10371056
• Wikidata: Q82158281
• Mol file: 306936-93-6.mol

Synonyms:306936-93-6;5-(3,4-Dichlorobenzyl)-1,3,4-oxadiazole-2-thiol;5-[(3,4-dichlorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione;Maybridge1_008699;HMS566D09;DTXSID10371056;CCG-53343;MFCD01313851;TOD101298;AKOS009159422;FT-0619614;A820553;SR-01000642511-1;5-[(3,4-Dichlorophenyl)methyl]-1,3,4-oxadiazole-2(3H)-thione;5-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione

Chemical Property of 5-(3,4-Dichlorobenzyl)-1,3,4-oxadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 7.25E-05mmHg at 25°C
• Melting Point: 141-143
• Refractive Index: 1.695
• Boiling Point: 343°C at 760 mmHg
• Flash Point: 161.2°C
• PSA: 77.72000
• Density: 1.59g/cm³
• LogP: 3.25590
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 259.9577894
• Heavy Atom Count: 15
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

5-(3,4-DICHLOROBENZYL)-1,3,4-OXADIAZOLE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC2=NNC(=S)O2)Cl)Cl