N-(hydroxymethyl)benzenecarbothioamide

Base Information

• Chemical Name: N-(hydroxymethyl)benzenecarbothioamide
• CAS No.: 14078-82-1
• Molecular Formula: C₈H₉NOS
• Molecular Weight: 167.232
• DSSTox Substance ID: DTXSID70401388
• NSC Number: 342667
• Mol file: 14078-82-1.mol

Synonyms:14078-82-1;N-(hydroxymethyl)benzenecarbothioamide;NSC342667;SCHEMBL10436205;DTXSID70401388;NSC-342667

Chemical Property of N-(hydroxymethyl)benzenecarbothioamide

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Boiling Point: 285.4°Cat760mmHg
• Flash Point: 126.4°C
• Density: 1.237g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.04048508
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(hydroxymethyl)benzenecarbothioamide

There total 2 articles about N-(hydroxymethyl)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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzenecarbothioamide (2227-79-4) → N-methylolthiobenzamide (14078-82-1)

Guidance literature:

In water;

DOI:10.1002/ardp.19673000309

Reference yield:

→ N-methylolthiobenzamide (14078-82-1)

Guidance literature:

entspr. Thiocarbonsaeureamid, Formaldehyd, Triethylamin, K2CO3;

DOI:10.1002/ardp.19743071004

Reference yield:

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + N-methylolthiobenzamide (14078-82-1) → 6-(4-chloro-phenyl)-2-phenyl-5,6-dihydro-4H-[1,3]thiazine (67917-42-4)

Guidance literature:

With sulfuric acid; In acetic acid; at 15 ℃;

upstream raw materials:

formaldehyd

benzenecarbothioamide

Downstream raw materials:

2-methyl-4-phenyl-6H-[1,3,5]oxathiazine

2-ethyl-4-phenyl-6H-[1,3,5]oxathiazine

2,6-diphenyl-4H-[1,3,5]thiadiazine

6-(4-chloro-phenyl)-2-phenyl-5,6-dihydro-4H-[1,3]thiazine