5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione

Base Information

• Chemical Name: 5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione
• CAS No.: 10253-83-5
• Molecular Formula: C8H7 N3 S2
• Molecular Weight: 209.296
• Hs Code.: 2934999090
• European Community (EC) Number: 233-592-6
• DSSTox Substance ID: DTXSID80145261
• Nikkaji Number: J48.746E
• Pharos Ligand ID: JXPDWB4Y6T72
• ChEMBL ID: CHEMBL289356
• Mol file: 10253-83-5.mol

Synonyms:10253-83-5;5-anilino-3H-1,3,4-thiadiazole-2-thione;5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione;5-(phenylamino)-1,3,4-thiadiazole-2-thiol;5-Anilino-1,3,4-thiadiazole-2-thiol;2-Mercapto-5-anilino-1,3,4-thiadiazole;5-Phenylamino-[1,3,4]thiadiazole-2-thiol;5-Anilino-1,3,4-thiadiazole-2(3H)-thione;EINECS 233-592-6;1,3,4-Thiadiazole-2(3H)-thione, 5-anilino-;1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-;MLS000711623;C8H7N3S2;CHEMBL289356;CL-17107;SMR000281390;Thiadiazole, 2-anilino-5-mercapto-1,3,4-;BAS 00890534;Maybridge4_003659;Oprea1_019972;cid_707055;SCHEMBL8045369;BDBM44137;DTXSID80145261;HMS1531G07;HMS2636P15;HMS3361G19;MFCD00125876;STK727283;AKOS000117228;AKOS027381265;CCG-246653;2-FLUORO-5-NITROBENZYLALCOHOL96;NCGC00245202-01;LS-150316;2-phenylamino-5-mercapto-1,3,4-thiadiazole;CS-0095880;EN300-06433;2-mercapto-5-phenyl-amino-1,3,4-thiadia-zole;5-phenylazanyl-3H-1,3,4-thiadiazole-2-thione;1,3,4-Thiadiazolidine-2-thione, 5-(phenylimino)-;Z56926534

Chemical Property of 5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione

Chemical Property:

• Vapor Pressure: 0.000364mmHg at 25°C
• Boiling Point: 318.3°Cat760mmHg
• Flash Point: 146.3°C
• PSA: 108.08000
• Density: 1.47g/cm³
• LogP: 1.99230
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 209.00813958
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NNC(=S)S2

Technology Process of 5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione

There total 28 articles about 5-(Phenylamino)-1,3,4-thiadiazole-2(3H)-thione 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: 85.0%

5-phenylamino-3H-[1,3,4]thiadiazole-2-thione (10253-83-5) → 5-phenylamino-2-mercapto-1,3,4-thiadiazole (10253-83-5)

Guidance literature:

With ω-bromo-ω-(1H-1,3,4-triazol-1-yl)acetophenone; In ethanol;

DOI:10.1002/jccs.200000129

Reference yield: 81.0%

carbon disulfide (75-15-0,12122-00-8) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → 5-phenylamino-2-mercapto-1,3,4-thiadiazole (10253-83-5)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

Reference yield: 80.0%

4-Phenyl-3-thiosemicarbazide (5351-69-9) → 5-phenylamino-2-mercapto-1,3,4-thiadiazole (10253-83-5)

Guidance literature:

upstream raw materials:

1,6-diphenyl-dithiodiurea

4-phenyl-[1,2,4]triazolidine-3,5-dithione

3-phenylthiocarbamoyl-dithiocarbazic acid methyl ester

carbon disulfide

Downstream raw materials:

5-benzylthio-2-phenylamino-1,3,4-thiadiazole

2-phenylamino-5-carboxymethylthio-1,3,4-thiadiazole