N,N'-Dimethylthiourea

Base Information

• Chemical Name: N,N'-Dimethylthiourea
• CAS No.: 534-13-4
• Deprecated CAS: 88001-91-6
• Molecular Formula: C3H8N2S
• Molecular Weight: 104.176
• Hs Code.: 2930.90
• European Community (EC) Number: 208-588-2
• NSC Number: 8727
• UNII: 8P30PMD17W
• DSSTox Substance ID: DTXSID2042191
• Nikkaji Number: J9.407B
• Wikidata: Q26840925
• Metabolomics Workbench ID: 130702
• ChEMBL ID: CHEMBL3189044
• Mol file: 534-13-4.mol

Synonyms:1,3-dimethyl-2-thiourea;1,3-dimethylthiourea;dimethylthiourea;DMTU;N,N'-dimethylthiourea

Chemical Property of N,N'-Dimethylthiourea

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Melting Point: 61-63 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 121.561 °C at 760 mmHg
• PKA: 14.98±0.70(Predicted)
• Flash Point: 27.319 °C
• PSA: 56.15000
• Density: 1.034 g/cm³
• LogP: 0.49190
• Storage Temp.: Store below +30°C.
• Solubility.: 1000g/l (experimental)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 104.04081944
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dimethylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-43
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NC
• Description: Dimethylthiocarbamide, an antioxygen agent, is responsible for sensitization, when unexposed to light, from diazo papers.
• Uses: Intermediate in the preparation of Arginine derivatives. N,N'-Dimethylthiourea is an antioxidant present in diazo copy paper to prevent yellow discoloration of the paper.

Technology Process of N,N'-Dimethylthiourea

There total 31 articles about N,N'-Dimethylthiourea 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: 100.0%

methyl thioisocyanate (556-61-6) + methylamine (74-89-5) → N,N-dimethylthiourea (534-13-4)

Guidance literature:

at 0 ℃; under 375.03 Torr;

DOI:10.1016/S0040-4020(00)00511-1

Reference yield: 96.0%

N1,N3-dimethyl-N1-nitrosothiourea (79645-01-5) + methylamine (74-89-5) → N,N-dimethylthiourea (534-13-4)

Guidance literature:

In acetonitrile; for 4h; Ambient temperature;

DOI:10.1016/S0040-4039(99)00093-3

Reference yield: 92.0%

1-methyl-3-[5-methyl-2-(3-methyl-thioureido)-phenyl]-thiourea → N,N-dimethylthiourea (534-13-4) + 2-mercapto-5-methylbenzimidazole (27231-36-3)

Guidance literature:

In 1,4-dioxane; for 2h; Heating;

DOI:10.1080/00397919908085769

upstream raw materials:

1,3,5-trimethyl-1,3,5-triazacyclohexane

N,N'-dimethylthioperoxydicarbamic acid

methyl thioisocyanate

methylamine

Downstream raw materials:

1-(methyl)-thiourea

1,3-dimethyl-5-phenyl-2-thioxo-dihydro-pyrimidine-4,6-dione

2-thio-N,N'-dimethylphenobarbital

1,3,5-trimethyl-5-phenyl-2-thio-barbituric acid

Refernces

• 1、 -. "PROCESS FOR MANUFACTURING BENZOXAZINONES". Page/Page column 43. . Retrieved 2014/03/22.
• 2、 Ray, Suman,Bhaumik, Asim,Dutta, Arghya,Butcher, Ray J.,Mukhopadhyay, Chhanda. "A new application of rhodanine as a green sulfur transferring agent for a clean functional group interconversion of amide to thioamide using reusable MCM-41 mesoporous silica". . p. 2164 - 2170. Retrieved 2013/05/08.