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Name |
N,N-diethylthiourea |
EINECS | N/A |
CAS No. | 7204-46-8 | Density | 1.041 g/cm3 |
PSA | 61.35000 | LogP | 1.27210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H12N2S | Boiling Point | 188.3 °C at 760 mmHg |
Molecular Weight | 132.23 | Flash Point | 67.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Urea,1,1-diethyl-2-thio- (6CI,7CI,8CI);1,1-Diethylthiourea;N,N-Diethylthiourea;NSC 520477; |
Article Data | 22 |
N,N-Diethyl-1H-benzotriazole-1-carboximidamide
1,1-diethylthiourea
Conditions | Yield |
---|---|
With hydrogen sulfide In tetrahydrofuran at 20℃; for 1h; | 92% |
N,N-diethyl-N'-benzoyl-thiourea
1,1-diethylthiourea
Conditions | Yield |
---|---|
With hydrazine at 25℃; for 0.166667h; | 89% |
With water |
Conditions | Yield |
---|---|
Stage #1: sodium thiocyanate; chloroformic acid ethyl ester With pyridine In acetonitrile at 5 - 20℃; Inert atmosphere; Stage #2: diethylamine In acetonitrile at 5 - 20℃; Inert atmosphere; Stage #3: With hydrazine hydrate In water at 50℃; for 4h; Inert atmosphere; | 66% |
Conditions | Yield |
---|---|
In water at 80 - 90℃; | 61% |
1,1-diethylthiourea
Conditions | Yield |
---|---|
With LiAlHSH In tetrahydrofuran at 0℃; for 3h; | 55% |
Conditions | Yield |
---|---|
With hydrazine hydrate In 1,2-dichloro-ethane at 20℃; for 6h; | 54% |
Conditions | Yield |
---|---|
With pyridine; hydrogen sulfide; triethylamine | |
With hydrogen sulfide; ammonia | |
With O,O-Diethyl hydrogen phosphorodithioate In diethyl ether |
Conditions | Yield |
---|---|
at 105℃; Geschwindigkeit der Isomerisierung; |
N,N-Diethyl-N'-tert.-butyl-thioharnstoff
1,1-diethylthiourea
Conditions | Yield |
---|---|
With hydrogenchloride Heating; |
Conditions | Yield |
---|---|
(i) MeCN, CH2Cl2, (ii) H2O; Multistep reaction; | |
In dichloromethane; acetonitrile |
The N,N-diethylthiourea, with the CAS registry number 7204-46-8, is also known as 1,1-Diethylthiourea.It belongs to the product medicines and drugs .This chemical's molecular formula is C5H12N2S and molecular weight is 132.22. Its EINECS number is 243-901-6. What's more, Its systematic name is 1,1-Diethylthiourea. N,N-diethylthiourea is used as Pharmaceutical Intermediates.
Other characteristics of the N,N-diethylthiourea can be summarised as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.34; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 64.04; (8)ACD/KOC (pH 7.4): 64.04; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 39.75 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 15.76×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 67.7 °C; (20)Enthalpy of Vaporization: 42.45 kJ/mol; (21)Boiling Point: 188.3 °C at 760 mmHg; (22)Vapour Pressure: 0.602 mmHg at 25°C.
Uses of this chemical: The N,N-diethylthiourea could react with 1-chloro-propan-2-one, and obtain the diethyl-(4-methyl-thiazol-2-yl)-amine. This reaction needs the solvent of ethanol. The yield is 60 %. In addition, this reaction should be taken for 40 minutes. The other condition is heating.
You can still convert the following datas into molecular structure:
(1)SMILES:S=C(N)N(CC)CC;
(2)Std. InChI:InChI=1S/C5H12N2S/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8);
(3)Std. InChIKey:CNLHIRFQKMVKPX-UHFFFAOYSA-N;