3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea

Base Information

• Chemical Name: 3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea
• CAS No.: 56473-15-5
• Molecular Formula: C8H20N6S2
• Molecular Weight: 264.41500
• DSSTox Substance ID: DTXSID90401825
• Wikidata: Q82205079
• Mol file: 56473-15-5.mol

Synonyms:56473-15-5;3-AMINO-1-{6-[(AMINOCARBAMOTHIOYL)AMINO]HEXYL}THIOUREA;N,N'-(Hexane-1,6-diyl)bis(hydrazinecarbothioamide);1-amino-3-[6-(aminocarbamothioylamino)hexyl]thiourea;starbld0023814;Hydrazinecarbothioamide, N,N'-1,6-hexanediylbis-;SCHEMBL10113928;DTXSID90401825

Chemical Property of 3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea

Chemical Property:

• Melting Point: 145 °C
• Boiling Point: 433.0±55.0 °C(Predicted)
• PSA: 178.42000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 2.22740
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 264.11908701
• Heavy Atom Count: 16
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCNC(=S)NN)CCNC(=S)NN

Technology Process of 3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea

There total 9 articles about 3-Amino-1-{6-[(aminocarbamothioyl)amino]hexyl}thiourea 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: 64.0%

carbon disulfide (75-15-0,12122-00-8) + 1,6-Hexanediamine (124-09-4) → N,N'-(hexane-1,6-diyl)bis(hydrazinecarbothioamide) (56473-15-5)

Guidance literature:

carbon disulfide; 1,6-Hexanediamine; With triethylamine;

With hydrazine hydrate; In water; for 24h; Reflux;

DOI:10.1080/10426500802203053

Reference yield: 47.0%

disodium hexamethylenetetrathiocarbamate (871-67-0,13036-90-3,92876-33-0) + hydrazine hydrate (7803-57-8,79785-97-0) → N,N'-(hexane-1,6-diyl)bis(hydrazinecarbothioamide) (56473-15-5)

Guidance literature:

In water; at 50 ℃; for 12h; Reflux;

DOI:10.1016/j.ica.2013.09.014

Reference yield:

N,N'-(hexamethylene)bisdithiocarbamic acid (45131-67-7) → N,N'-(hexane-1,6-diyl)bis(hydrazinecarbothioamide) (56473-15-5)

Guidance literature:

N,N'-(hexamethylene)bisdithiocarbamic acid; With sodium monochloroacetic acid; In water; at 20 ℃;

With hydrogenchloride; hydrazine hydrate; In water; for 2h; Reflux;

DOI:10.1016/j.jinorgbio.2014.07.020

upstream raw materials:

Hexamethylene diisocyanate

carbon disulfide

N,N'-hexamethylenebis(2-thioxo-1,3-thiazin-2-one)

hexamethylene 1,6-diisothiocyanate

Downstream raw materials:

S,S'-dibenzyl-4,4'-hexanediyl-bis-iso thiosemicarbazide; dihydrochloride

C₂₄H₃₄N₈S₄

N,N'-bis-[5-(2-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-hexane-1,6-diamine

1,1'-Di(m-nitro-benzoyl)-4,4'-hexamethylen-bis(thiosemicarbazid)