D100900

N,N′-Diethylthiourea

98%

• Synonym(s): 1,3-Diethyl-2-thiourea, 1,3-Diethylthiourea, N,N′-Diethylthiocarbamide, N,N′-Diethylthiourea
• Linear Formula: (C₂H₅NH)₂CS
• CAS Number: 105-55-5
• Molecular Weight: 132.23
• Beilstein: 773905
• EC Number: 203-308-5
• MDL number: MFCD00004925
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893318
• NACRES: NA.22

Properties

• Assay: 98%
• form: crystals
• mp: 76-78 °C (lit.)
• SMILES string: CCNC(=S)NCC
• InChI: 1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
• InChI key: FLVIGYVXZHLUHP-UHFFFAOYSA-N
• Gene Information: human ... EPHX2(2053) ; mouse ... Ephx2(13850)

Description

Application

N,N′-Diethylthiourea can be used as a reactant to prepare:

• 3,5-Diethyltetrahydro-4-thioxo-1,3,5-triazine-1(2H)-propanoic acid by condensation reaction with formaldehyde and β-alanine.
• Methyl 3-ethyl-2-(ethylimino)-3,4-dihydro-4-oxo-2H-1,3-thiazine-6-carboxylate by one-pot reaction with dimethyl acetylenedicarboxylate in the presence of triphenylphosphine catalyst.
• 2-(Ethylimino)-3-ethyl-thiazolidin-4-one by cyclization reaction with 2-chloroacetic acid.
• 3-Ethyl-2-(ethylimino)-4-oxo-5-thiazolidineacetamide by condensation reaction with maleimides via Michael-type reaction.

Safety Information

• Pictograms: GHS08,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312,H317,H318,H351,H412
• Precautionary Statements: P273 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 2 - Eye Dam. 1 - Skin Sens. 1B
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): 366.8 °F
• Flash Point(C): 186 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves