1,3-Dimethyl-1-nitrosothiourea

Base Information

• Chemical Name: 1,3-Dimethyl-1-nitrosothiourea
• CAS No.: 79645-01-5
• Molecular Formula: C3H7N3OS
• Molecular Weight: 133.174
• NSC Number: 44575
• DSSTox Substance ID: DTXSID40392476
• Nikkaji Number: J1.052.355I
• Mol file: 79645-01-5.mol

Synonyms:1,3-dimethyl-1-nitrosothiourea;79645-01-5;1,3-dimethyl-1-nitroso-thiourea;1,3-dimethyl-3-nitrosothiourea;NSC44575;SCHEMBL23094476;DTXSID40392476;NSC-44575;Thiourea, N,N'-dimethyl-N-nitroso-;AKOS006350108;EN300-7134196

Chemical Property of 1,3-Dimethyl-1-nitrosothiourea

Chemical Property:

• Vapor Pressure: 3.12mmHg at 25°C
• Boiling Point: 154.8°Cat760mmHg
• Flash Point: 47.4°C
• Density: 1.26g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.03098303
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)N(C)N=O

Technology Process of 1,3-Dimethyl-1-nitrosothiourea

There total 2 articles about 1,3-Dimethyl-1-nitrosothiourea 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%

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

Guidance literature:

With hydrogenchloride; sodium nitrite; In dichloromethane; at -10 - -5 ℃; for 1h;

DOI:10.1021/jo00152a019

Reference yield:

C3H7N3OS*H(1+) → N1,N3-dimethyl-N1-nitrosothiourea (79645-01-5)

Guidance literature:

With sodium perchlorate; cis-nitrous acid; at 25 ℃; Rate constant;

DOI:10.1039/P29880001087

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

upstream raw materials:

N,N-dimethylthiourea

Downstream raw materials:

N,N'-Dimethylurea

1,3 dimethyl 1 nitrosourea

methyl thioisocyanate

N,N-dimethylthiourea

Refernces

• 1、 Meijide, Fransisco,Stedman, Geoffrey. "The Nitrosation of NN'-Dialkylthioureas". . p. 1087 - 1090. Retrieved 2007/10/02.
• 2、 Lown, J. William,Chauhan, Shive M. S.. "Synthesis of Novel N-Nitrosothioureas and Examination of Their Mechanisms of Formation by High-Field Nitrogen-15 and Carbon-13 Nuclear Magnetic Resonance Spectra of Specifically Labeled Compounds". . p. 507 - 512. Retrieved 2007/10/02.