N,N-DI-SEC-BUTYLTHIOUREA

Base Information

• Chemical Name: N,N-DI-SEC-BUTYLTHIOUREA
• CAS No.: 31182-22-6
• Molecular Formula: C₉H₂₀N₂S
• Molecular Weight: 188.337
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20953266
• Nikkaji Number: J267.260J
• Mol file: 31182-22-6.mol

Synonyms:Urea,1,3-di-sec-butyl-2-thio- (8CI); 1,3-Di-sec-butyl-2-thiourea;N,N'-Di-sec-butylthiourea

Chemical Property of N,N-DI-SEC-BUTYLTHIOUREA

Chemical Property:

• Melting Point: 98-100oC
• Boiling Point: 255.2°Cat760mmHg
• Flash Point: 108.1°C
• PSA: 56.15000
• Density: 0.971g/cm³
• LogP: 2.82930
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 188.13471982
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

98%Min ^*data from raw suppliers

NN''-Di-sec-butylthiourea ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)NC(=S)NC(C)CC

Technology Process of N,N-DI-SEC-BUTYLTHIOUREA

There total 4 articles about N,N-DI-SEC-BUTYLTHIOUREA 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) + SEC-BUTYLAMINE (33966-50-6) → N.N'-di-(sec-butyl)-thiourea (31182-22-6)

Guidance literature:

at 100 ℃; for 12h; Ionic liquid; Green chemistry;

DOI:10.1080/17415993.2012.739623

Reference yield:

sec-butyl isothiocyanate (116724-11-9,623-45-0,4426-79-3,116724-12-0) → SEC-BUTYLAMINE (33966-50-6) + N.N'-di-(sec-butyl)-thiourea (31182-22-6)

Guidance literature:

With water; at 200 ℃; N.N'-di-sec-butyl>-thiourea;

Reference yield:

SEC-BUTYLAMINE (33966-50-6) + sec-butyl isothiocyanate (116724-11-9,623-45-0,4426-79-3,116724-12-0) → N.N'-di-(sec-butyl)-thiourea (31182-22-6)

Guidance literature:

With ethanol; N-sec-butyl>-N'-<dl-sec-butyl>-thiourea;

upstream raw materials:

SEC-BUTYLAMINE

sec-butyl isothiocyanate

carbon disulfide

Downstream raw materials:

di-sec-butyl-carbodiimide

3-sec.-Butyl-2-sec.-butylimino-4-(4-chloro-3-sulfamoylphenyl)-1,3-thiazolidine-4-ol-hydrochloride

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