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

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 23766-26-9
• Molecular Formula: C9H8 N2 O2 S
• Molecular Weight: 208.241
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30350580
• Nikkaji Number: J867.455H
• Mol file: 23766-26-9.mol

Synonyms:5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol;23766-26-9;5-(4-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione;5-(4-METHOXYPHENYL)-1 3 4-OXADIAZOLE-2-&;CBMicro_008631;CBMicro_012369;ChemDiv2_001189;Oprea1_545462;Oprea1_851340;SCHEMBL987236;DTXSID30350580;UGHZJAXROLHKEH-UHFFFAOYSA-N;BDBM152489;HMS1372I01;SMSF0009728;SMSF0010601;CCG-21120;MFCD00462871;STK088403;STK877679;TOD101311;AKOS000116333;AKOS000269146;CB11270;CB15570;WAY-303009;BIM-0008512.P001;BIM-0012187.P001;EU-0012725;EN300-03495;11P-037;5-(4-methoxy-phenyl)-1,3,4-oxadiazole-2-thione;AN-153/14987021;SR-01000507069;5-(4-Methoxy-phenyl)-[1,3,4]oxadiazole-2-thiol;J-015201;SR-01000507069-1;5-(4-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione;Z55879393;5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl hydrosulfide;5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylhydrosulfide;F0919-2731;F2146-0006;5-(4'-Methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (7);5-(4-methoxyphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

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

Chemical Property:

• Vapor Pressure: 0.00211mmHg at 25°C
• Melting Point: 203-208oC(lit.)
• Boiling Point: 290.1°C at 760 mmHg
• Flash Point: 129.3°C
• PSA: 86.95000
• Density: 1.38g/cm³
• LogP: 2.03390
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NNC(=S)O2

Technology Process of 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol

There total 17 articles about 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

carbon disulfide (75-15-0,12122-00-8) + 4-methoxybenzoic acid hydrazide (3290-99-1) → 5-(4'-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (23766-26-9)

Guidance literature:

With aluminum oxide; potassium hydroxide; In ethanol; for 0.116667h; Microwave irradiation;

DOI:10.1016/j.bioorg.2015.04.003

Reference yield: 88.3%

carbon disulfide (75-15-0,12122-00-8) + 4-methoxybenzoic acid hydrazide (3290-99-1) → 5?(4?methoxyphenyl)?1,3,4?oxadiazole?2?thiol (23766-26-9)

Guidance literature:

With potassium hydroxide; In ethanol; for 44h; Reflux;

DOI:10.1021/acs.jmedchem.5b00608

Reference yield: 81.0%

potassium N-(4-methoxybenzoyl)hydrazinecarbodithioate (85103-41-9) → 5?(4?methoxyphenyl)?1,3,4?oxadiazole?2?thiol (23766-26-9)

Guidance literature:

In N,N-dimethyl-formamide; for 0.00833333h; Irradiation;

DOI:10.1081/SCC-120001516

upstream raw materials:

carbon disulfide

4-methoxybenzoic acid hydrazide

methyl 4-methoxybenzoate

4-methoxybenzoic acid

Downstream raw materials:

5-(4-Methoxy-phenyl)-3-piperidin-1-ylmethyl-3H-[1,3,4]oxadiazole-2-thione

5-(4-Methoxy-phenyl)-3-morpholin-4-ylmethyl-3H-[1,3,4]oxadiazole-2-thione

C₂₄H₂₆N₆O₄S₂

C₂₆H₃₀N₆O₄S₂