Trimethylthiourea

Base Information

• Chemical Name: Trimethylthiourea
• CAS No.: 2489-77-2
• Molecular Formula: C4H10 N2 S
• Molecular Weight: 118.203
• Hs Code.: 2930909090
• European Community (EC) Number: 219-644-0
• NSC Number: 153385
• UNII: 5MHD6IL0A4
• DSSTox Substance ID: DTXSID6021404
• Nikkaji Number: J36.570J
• Wikidata: Q26840738
• ChEMBL ID: CHEMBL3183484
• Mol file: 2489-77-2.mol

Synonyms:TRIMETHYLTHIOUREA;2489-77-2;1,1,3-Trimethylthiourea;Thiourea, trimethyl-;N,N,N'-Trimethylthiourea;Thiate E;1,3,3-Trimethylthiourea;1,1,3-Trimethyl-2-thiourea;Thiourea, N,N,N'-trimethyl-;Trimethyl-2-thiourea;Urea, 1,1,3-trimethyl-2-thio-;NCI-C02186;CCRIS 611;NSC 153385;HSDB 4095;EINECS 219-644-0;UNII-5MHD6IL0A4;5MHD6IL0A4;AI3-62303;DTXSID6021404;NSC-153385;DTXCID501404;CAS-2489-77-2;SANCELER TMU;1,3-Trimethylthiourea;N,N'-Trimethylthiourea;1,3-Trimethyl-2-thiourea;SCHEMBL80483;WLN: SUYM1&N1&1;Urea,1,3-trimethyl-2-thio-;TRIMETHYLTHIOUREA [HSDB];CHEMBL3183484;SCHEMBL14713949;JAEZSIYNWDWMMN-UHFFFAOYSA-N;THIOUREA,N,N,N'-TRIMETHYL-;Tox21_201733;Tox21_302853;MFCD00059148;NSC153385;AKOS008944388;LS-1061;NCGC00249106-01;NCGC00256342-01;NCGC00259282-01;TRIMETHYL-2-THIOUREA, 1,1,3-;AS-59103;CS-0323872;FT-0629687;T0667;3-AMINO-3-PYRIDIN-2-YL-PROPIONICACID;E78833;J-015720;Q26840738;F1995-0262

Chemical Property of Trimethylthiourea

Chemical Property:

• Vapor Pressure: 8.9mmHg at 25°C
• Melting Point: 84oC
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 132.3°C at 760 mmHg
• PKA: 15.29±0.70(Predicted)
• Flash Point: 33.8°C
• PSA: 47.36000
• Density: 1.022g/cm³
• LogP: 0.44320
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.05646950
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

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

Trimethylthiourea >98.0%(N) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: CNC(=S)N(C)C
• Description: Trimethylthiourea is a thiourea derivative. Patients sensitized to ethylbutyl thiourea ean also react to trimethylthiourea.
• Uses: 1,1,3-Trimethylthiourea can be used to synthesize many isothiouronium compounds.

Technology Process of Trimethylthiourea

There total 15 articles about Trimethylthiourea 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%

ethylamine (75-04-7,85404-22-4) + methyl thioisocyanate (556-61-6) → 1,1,3-trimethylthiourea (2489-77-2)

Guidance literature:

at 0 ℃; under 375.03 Torr;

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

Reference yield: 96.0%

methylamine (74-89-5) + N-nitroso-trimethylthiourea → 1,1,3-trimethylthiourea (2489-77-2)

Guidance literature:

In acetonitrile; for 7h; Ambient temperature;

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

Reference yield: 95.0%

N1,N3-dimethyl-N1-nitrosothiourea (79645-01-5) + dimethyl amine (124-40-3) → 1,1,3-trimethylthiourea (2489-77-2)

Guidance literature:

In acetonitrile; for 4h; Ambient temperature;

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

upstream raw materials:

S-methyl N-methyl dithiocarbamate

dimethyl amine

Methyldithiocarbamidsaeure-ethylester

methyl thioisocyanate

Downstream raw materials:

N¹,N¹,N²-trimethyl-2,5-diphenyl-Δ²-1,3,4-thiadiazoline-4-carboxamidine

1,1,3-Trimethyl-2-phenyl-isothiourea

1,1,3-Trimethyl-2-(p-toluolsulfonyl)-guanidin

1,1,3-trimethylurea

Refernces

• 1、 Petrovski, ?eljko,Martins, Bruno M.R.,Afonso, Carlos A.M.. "Short synthesis of methylenecyclopentenones by intermolecular Pauson-Khand reaction of allyl thiourea". supporting information; experimental part. p. 3356 - 3359. Retrieved 2010/08/19.
• 2、 Xian,Zhu,Li,Cheng. "A high-yielding and facile preparation of N-substituted thioureas by substitution of nitrosothioureas with alkylamines". . p. 1957 - 1960. Retrieved 2007/10/03.