1,3-Bis(hydroxymethyl)imidazolidine-2-thione

Base Information

• Chemical Name: 1,3-Bis(hydroxymethyl)imidazolidine-2-thione
• CAS No.: 15534-95-9
• Deprecated CAS: 29759-65-7
• Molecular Formula: C5H10 N2 O2 S
• Molecular Weight: 162.213
• Hs Code.: 2933990090
• European Community (EC) Number: 239-579-1
• UNII: H09EK3X952
• DSSTox Substance ID: DTXSID3065908
• Nikkaji Number: J62.588D
• Wikidata: Q27279399
• Mol file: 15534-95-9.mol

Synonyms:1,3-Bis(hydroxymethyl)imidazolidine-2-thione;15534-95-9;Dimethylol ethylene thiourea;1,3-Bis(hydroxymethyl)-2-imidazolidinethione;Dimethylolethylenethiourea;2-IMIDAZOLIDINETHIONE, 1,3-BIS(HYDROXYMETHYL)-;1,3-Bis(hydroxymethyl)imidazolidin-2-thione;BRN 0638446;EINECS 239-579-1;UNII-H09EK3X952;AI3-51415;H09EK3X952;SCHEMBL1068943;DTXSID3065908;LS-79257;DIMETHYLOL ETHYLENE THIOUREA [INCI];E83755;1,3-bis (hydroximethyl) imidazolidine-2-thione;1, 3- bis(hydroxymethyl)imidazolidine- 2- thione;BIS(HYDROXYMETHYL)IMIDAZOLIDIN-2-THIONE, 1,3-;Q27279399

Chemical Property of 1,3-Bis(hydroxymethyl)imidazolidine-2-thione

Chemical Property:

• Vapor Pressure: 1.29E-09mmHg at 25°C
• Boiling Point: 440.6°Cat760mmHg
• PKA: 12.95±0.10(Predicted)
• Flash Point: 220.3°C
• PSA: 79.03000
• Density: 1.52g/cm³
• LogP: -1.33570
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 162.04629874
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=S)N1CO)CO

Technology Process of 1,3-Bis(hydroxymethyl)imidazolidine-2-thione

There total 2 articles about 1,3-Bis(hydroxymethyl)imidazolidine-2-thione 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: 75.0%

N,N'-ethylenethiourea (96-45-7) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1,3-bis(hydroxymethyl)-2-imidazolidinethione (15534-95-9)

Guidance literature:

With hydrogenchloride; In water; at 50 - 65 ℃; for 0.5h;

Reference yield:

→ 1,3-bis(hydroxymethyl)-2-imidazolidinethione (15534-95-9)

Guidance literature:

2-Imidazolidinthion, HCOH;

Reference yield: 61.0%

para-tert-butylphenol (98-54-4) + 1,3-bis(hydroxymethyl)-2-imidazolidinethione (15534-95-9) → 1,3-bis(5-tert-butyl-2-hydroxybenzyl)imidazolidine-2-thione (1266201-29-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 60 ℃; for 72h;

upstream raw materials:

N,N'-ethylenethiourea

formaldehyd

Downstream raw materials:

[Cu(CH₃C₆H₄COO)((OCH₂)(HOCH₂)C₃H₄N₂S)]2

1,3-bis(5-tert-butyl-2-hydroxybenzyl)imidazolidine-2-thione

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