N-(3-Hydroxypropyl)benzenecarbothioamide

Base Information

• Chemical Name: N-(3-Hydroxypropyl)benzenecarbothioamide
• CAS No.: 36926-17-7
• Molecular Formula: C10H13NOS
• Molecular Weight: 195.285
• DSSTox Substance ID: DTXSID00540451
• Nikkaji Number: J977.657E
• Wikidata: Q82416471
• Mol file: 36926-17-7.mol

Synonyms:36926-17-7;N-(3-HYDROXYPROPYL)BENZENECARBOTHIOAMIDE;DTXSID00540451

Chemical Property of N-(3-Hydroxypropyl)benzenecarbothioamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 195.07178521
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=S)NCCCO

Technology Process of N-(3-Hydroxypropyl)benzenecarbothioamide

There total 9 articles about N-(3-Hydroxypropyl)benzenecarbothioamide 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: 90.0%

3-phenylthioamidopropyl acetate → N-(3-hydroxypropyl)benzothioamide (36926-17-7)

Guidance literature:

With methanol; sodium hydroxide; at 0 ℃; for 0.5h;

DOI:10.1055/s-0039-1690822

Reference yield: 42.0%

2-Phenyl-5,6-dihydro-4H-[1,3]oxazine (3420-41-5) → N-(3-hydroxypropyl)benzothioamide (36926-17-7)

Guidance literature:

With hydrogen sulfide; triethylamine; In methanol; at 25 ℃; for 6h;

DOI:10.1016/S0040-4020(98)00341-X

Reference yield: 40.0%

benzaldehyde (100-52-7) + propan-1-ol-3-amine (156-87-6) → N-(3-hydroxypropyl)benzothioamide (36926-17-7)

Guidance literature:

With sulfur; for 3h; heating in water-bath;

upstream raw materials:

benzaldehyde

propan-1-ol-3-amine

2-Phenyl-5,6-dihydro-4H-[1,3]oxazine

N-(3-hydroxypropyl)benzamide

Downstream raw materials:

2-phenyl-5,6-dihydro-4H-1,3-thiazine

3-methyl-2-phenyl-5,6-dihydro-4H-[1,3]thiazinium; iodide