1-Butyl-2-thiourea

Base Information

• Chemical Name: 1-Butyl-2-thiourea
• CAS No.: 1516-32-1
• Molecular Formula: C5H12 N2 S
• Molecular Weight: 132.23
• Hs Code.: 2930909090
• European Community (EC) Number: 216-165-9
• NSC Number: 202953
• UNII: 4DX8I3D6G6
• DSSTox Substance ID: DTXSID5061744
• Nikkaji Number: J40.769K
• Mol file: 1516-32-1.mol

Synonyms:1-Butyl-2-thiourea;1516-32-1;Butylthiourea;N-Butylthiourea;1-butylthiourea;Thiourea, butyl-;Thiourea, N-butyl-;n-Butyl thiourea;Butyl-2-thiourea;Urea, 1-butyl-2-thio-;USAF D-5;EINECS 216-165-9;NSC 202953;BRN 1744779;4DX8I3D6G6;NSC-202953;4-04-00-00584 (Beilstein Handbook Reference);butyl-thiourea;butyl isothiourea;Thiourea,N-butyl-;NSC202953;WLN: SUYZM4;UNII-4DX8I3D6G6;SCHEMBL144837;DTXSID5061744;SCHEMBL10878067;HMS1783O04;MFCD00022173;AKOS001073551;NCGC00323601-01;AS-11539;LS-159284;B4971;CS-0132422;FT-0633622;EN300-06602;T70321;AB01319167-02;A809200;Z56930717

Chemical Property of 1-Butyl-2-thiourea

Chemical Property:

• Melting Point: 77-78°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 202.2°Cat760mmHg
• PKA: 14.82±0.29(Predicted)
• Flash Point: 76.1°C
• PSA: 70.14000
• Density: 1.028g/cm³
• LogP: 1.71090
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 132.07211956
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=S)N

Technology Process of 1-Butyl-2-thiourea

There total 14 articles about 1-Butyl-2-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: 99.0%

N-benzoyl-N'-n-butylthiourea (7150-47-2) → N-butylthiourea (1516-32-1)

Guidance literature:

With hydrazine; at 25 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2005.06.135

Reference yield: 96.0%

N-butylamine (109-73-9,85404-21-3) + thiourea (17356-08-0) → N-butylthiourea (1516-32-1)

Guidance literature:

With choline chloride; tin(ll) chloride; at 130 ℃; for 8h; Green chemistry;

DOI:10.1039/d1nj01827b

Reference yield: 94.0%

N-butyl-benzotriazole-1-carboxamidine → N-butylthiourea (1516-32-1)

Guidance literature:

With hydrogen sulfide; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-2004-829127

upstream raw materials:

O-ethyl thiocarbamate

N-butylamine

butyl isothiocyanate

N-Butyl-N'-tert.-butyl-thioharnstoff

Downstream raw materials:

17α-Hydroxy-17β-(2-butylamino-thiazolyl-4-yl)-androst-4-en-3-one

4-amino-3-butyl-5-phenyl-3H-thiazol-2-ylideneamine

(2-butylamino-thiazol-5-yl)-(4-chloro-phenyl)-methanone

1-n-butyl-1H-tetrazol-5-amine

Refernces

• 1、 Bagherzadeh, Nastaran,Sardarian, Ali Reza,Inaloo, Iman Dindarloo. "Green and efficient synthesis of thioureas, ureas, primary: O -thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea". supporting information. p. 11852 - 11858. Retrieved 2021/07/12.
• 2、 Kuotsu, Neivotsonuo Bernadette,Jamir, Latonglila,Phucho, Tovishe,Sinha, Upasana Bora. "A novel one-pot synthesis of isothiocyanates and cyanamides from dithiocarbamate salts using environmentally benign reagent tetrapropylammonium tribromide". . p. 832 - 841. Retrieved 2018/01/17.