1-(Carbamothioylamino)-3-phenylthiourea

Base Information

• Chemical Name: 1-(Carbamothioylamino)-3-phenylthiourea
• CAS No.: 16437-66-4
• Molecular Formula: C8H10N4S2
• Molecular Weight: 226.326
• DSSTox Substance ID: DTXSID30352640
• Nikkaji Number: J1.886.840G
• Wikidata: Q82129893
• ChEMBL ID: CHEMBL1406262
• Mol file: 16437-66-4.mol

Synonyms:1-(carbamothioylamino)-3-phenylthiourea;16437-66-4;1,2-Hydrazinedicarbothioamide, N-phenyl-;N~1~-phenyl-1,2-hydrazinedicarbothioamide;MLS000701422;SMR000228735;N-phenyl-1,2-hydrazinedicarbothioamide;1-phenyl-3-thioureido-thiourea;cid_730662;CHEMBL1406262;SCHEMBL10794044;BDBM67262;DTXSID30352640;HMS2626K18;STK024209;AKOS000349029;N-phenylhydrazine-1,2-dicarbothioamide;1-(carbamothioylamino)-3-phenyl-thiourea;AN-329/40792235

Chemical Property of 1-(Carbamothioylamino)-3-phenylthiourea

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.03468868
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=S)N

Technology Process of 1-(Carbamothioylamino)-3-phenylthiourea

There total 3 articles about 1-(Carbamothioylamino)-3-phenylthiourea 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: 83.0%

phenyl isothiocyanate (103-72-0) + thiosemicarbazide (79-19-6) → 1-phenyl-2,5-dithiobiurea (16437-66-4)

Guidance literature:

With sodium hydroxide; In acetonitrile; for 1h;

Reference yield: 70.0%

6-phenylamino-3-amino-1,2,4,5-dithiadiazine → 1-phenyl-2,5-dithiobiurea (16437-66-4)

Guidance literature:

With hydrogen sulfide; triethylamine; In pyridine; for 6h;

Reference yield:

→ 1-phenyl-2,5-dithiobiurea (16437-66-4)

Guidance literature:

C6H5NCS, NH2-NH-CS-NH2;

upstream raw materials:

phenyl isothiocyanate

thiosemicarbazide

Downstream raw materials:

(5-methylsulfanyl-[1,3,4]thiadiazol-2-yl)-phenyl-amine

ethyl 5-amino-6-cyano-2-(phenylamino)-6(H)-1,3,4-thiadiazine-6-carboxylate

2-(phenylamino)imidazo[2,1-b][1,3,4]thiadiazole-5,6-dicarbonitrile

1,2-bis[5-(phenylamino)-1,3,4-thiadiazol-2-yl]hydrazine

Refernces

• 1、 Indukumari, P. V.,Joshua, C. P.,Rajan, V. P.. "Oxidation and Eliminative Cyclisation of S-Alkylisodithiobiureas". . p. 384 - 387. Retrieved 2007/10/02.