1,3-Bis(hydroxymethyl)thiourea

Base Information

• Chemical Name: 1,3-Bis(hydroxymethyl)thiourea
• CAS No.: 3084-25-1
• Molecular Formula: C3H8 N2 O2 S
• Molecular Weight: 136.175
• Hs Code.: 2930909090
• European Community (EC) Number: 221-389-5
• DSSTox Substance ID: DTXSID1062837
• Nikkaji Number: J49.084I
• Wikidata: Q26840780
• Mol file: 3084-25-1.mol

Synonyms:1,3-bis(hydroxymethyl)thiourea;Dimethylolthiourea;3084-25-1;N,N'-Bis(hydroxymethyl)thiourea;Dimethylol thiourea;Thiourea, N,N'-bis(hydroxymethyl)-;USAF B-74;EINECS 221-389-5;BRN 1721941;Urea, 1,3-bis(hydroxymethyl)-2-thio-;C3H8N2O2S;1,3-(Bis(hydroxymethyl))thiourea;4-03-00-00353 (Beilstein Handbook Reference);1,3-[bis(hydroxymethyl)]thiourea;1,3-dimethylolthiourea;SCHEMBL942187;DTXSID1062837;BBL011084;STK802301;AKOS005622506;VS-02830;LS-159068;CS-0355672;EN300-216143;Q26840780

Chemical Property of 1,3-Bis(hydroxymethyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Melting Point: 91-92 °C
• Refractive Index: 1.7000 (estimate)
• Boiling Point: 286.2°Cat760mmHg
• PKA: 12.21±0.70(Predicted)
• Flash Point: 126.9°C
• PSA: 96.61000
• Density: 1.423g/cm³
• LogP: -0.86810
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 136.03064868
• Heavy Atom Count: 8
• Complexity: 69.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(NC(=S)NCO)O

Technology Process of 1,3-Bis(hydroxymethyl)thiourea

There total 1 articles about 1,3-Bis(hydroxymethyl)thiourea 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: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + thiourea (17356-08-0) → N,N'-bis(hydroxymethyl)thiourea (3084-25-1)

Guidance literature:

In water; at 45 - 50 ℃; for 0.25h;

DOI:10.1134/S1070428016010231

Reference yield: 61.0%

piperidine (110-89-4) + N,N'-bis(hydroxymethyl)thiourea (3084-25-1) → N,N'-bis(piperidin-1-ylmethyl)thiourea (7498-04-6)

Guidance literature:

In methanol; at 34 - 36 ℃; for 1h;

DOI:10.1134/S107042801806009X

Reference yield:

methanol (67-56-1) + N,N'-bis(hydroxymethyl)thiourea (3084-25-1) → 1,3-bis(methoxymethyl)thiourea (51872-26-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

formaldehyd

thiourea

Downstream raw materials:

1,3-bis(methoxymethyl)thiourea

N,N'-bis(piperidin-1-ylmethyl)thiourea

Refernces