N,N-diethylthiourea supplier

Name
N,N-DIETHYLTHIOUREA
EINECS
CAS No. 7204-46-8
Article Data22
CAS DataBase
Density 1.041 g/cm³
Solubility
Melting Point
Formula C₅H₁₂N₂S
Boiling Point 188.3 °C at 760 mmHg
Molecular Weight 132.23
Flash Point 67.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,1,1-diethyl-2-thio- (6CI,7CI,8CI);1,1-Diethylthiourea;N,N-Diethylthiourea;NSC 520477;
PSA 61.35000
LogP 1.27210

Synthetic route

: 351425-47-3
N,N-Diethyl-1H-benzotriazole-1-carboximidamide

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With hydrogen sulfide In tetrahydrofuran at 20℃; for 1h;	92%

: 58328-36-2
N,N-diethyl-N'-benzoyl-thiourea

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With hydrazine at 25℃; for 0.166667h;	89%
With water

: sodium thiocyanate

: 541-41-3
chloroformic acid ethyl ester

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

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%

...Expand

: 1147550-11-5
ammonium thiocyanate

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
In water at 80 - 90℃;	61%

: C5H11ClN2*ClH

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With LiAlHSH In tetrahydrofuran at 0℃; for 3h;	55%

: 109-89-7
diethylamine

: 532-55-8
Benzoyl isothiocyanate

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With hydrazine hydrate In 1,2-dichloro-ethane at 20℃; for 6h;	54%

: 617-83-4
Diethylcyanamide

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With pyridine; hydrogen sulfide; triethylamine
With hydrogen sulfide; ammonia
With O,O-Diethyl hydrogen phosphorodithioate In diethyl ether

: 3487-55-6
diethylammonium thiocyanate

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
at 105℃; Geschwindigkeit der Isomerisierung;

: 14327-03-8
N,N-Diethyl-N'-tert.-butyl-thioharnstoff

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With hydrogenchloride Heating;

: 66365-41-1
triphenylphosphine thiocyanogen

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
(i) MeCN, CH2Cl2, (ii) H2O; Multistep reaction;
In dichloromethane; acetonitrile

: 333-20-0
potassium thioacyanate

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
(i) ClCO2Et, acetone, (ii) /BRN= 605268/, (iii) aq. HCl; Multistep reaction;

: 132625-72-0
C8H16N2O2S

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With hydrogenchloride at 80℃; for 8h; Yield given;

: 3282-30-2
pivaloyl chloride

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
With sodium hydroxide In hydrogenchloride; acetone

: ammonium thiocyanate

: 109-89-7
diethylamine

: 7204-46-8
1,1-diethylthiourea

Conditions

Conditions	Yield
In water at 80 - 90℃;

: 7204-46-8
1,1-diethylthiourea

: 532-27-4
1-chloroacetophenone

: 75654-98-7
2-diethylamino-4-phenylthiazole

Conditions

Conditions	Yield
In isopropyl alcohol for 1h; Heating; Reflux;	97%

: 7204-46-8
1,1-diethylthiourea

: 107-14-2
chloroacetonitrile

: Diethyl-(4-imino-4,5-dihydro-thiazol-2-yl)-amine; hydrochloride

Conditions

Conditions	Yield
In ethanol for 1h; Heating;	92%

: 18829-56-6
(E)-2-Nonenal

: 7204-46-8
1,1-diethylthiourea

: 104504-02-1
4-methyl-N-(tosyloxy)benzenesulfonamide

: 1353053-43-6
(R)-N-(1-(2-(diethylamino)thiazol-5-yl)heptyl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
Stage #1: (E)-2-Nonenal; 4-methyl-N-(tosyloxy)benzenesulfonamide With (S)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilanyl)oxy]methyl}pyrrolidine; sodium acetate In toluene at 20℃; for 24h; Stage #2: 1,1-diethylthiourea In toluene at 60℃; for 1.5h;	92%

...Expand

: 7204-46-8
1,1-diethylthiourea

: 99-94-5
p-Toluic acid

: N-(diethylcarbamothioyl)-4-methylbenzamide

Conditions

Conditions	Yield
With potassium fluoride on basic alumina; N,N-dimethyl-formamide at 20 - 105℃; for 0.0666667h; Product distribution; Further Variations:; Reagents; Temperatures; heating instead of irradiation; Acylation; Irradiation;	85%
With potassium fluoride on basic alumina; N,N-dimethyl-formamide at 20 - 105℃; for 0.0666667h; Acylation; Irradiation;	85%

: 3739-94-4
2,6-Pyridinedicarbonyl dichloride

: 7204-46-8
1,1-diethylthiourea

: N2,N6-bis(diethylcarbamothioyl)pyridine-2,6-dicarboxamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 40℃; for 1h;	78%
With triethylamine In acetone at 20 - 60℃; for 3h;	68%
With triethylamine In tetrahydrofuran at 0 - 50℃; for 2h; Inert atmosphere;	7.27 g
In N,N-dimethyl-formamide

: 7204-46-8
1,1-diethylthiourea

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: C8H17N3S

Conditions

Conditions	Yield
In dichloromethane for 2h;	77%

: 7204-46-8
1,1-diethylthiourea

A: 617-83-4
Diethylcyanamide

B: 3,5-bis(diethylamino)-1,2,4-thiadiazole

Conditions

Conditions	Yield
With diethoxydisulfane In tetrachloromethane for 7h; Heating;	A 5% B 75%

: 7204-46-8
1,1-diethylthiourea

: 70-11-1
α-bromoacetophenone

: 75654-98-7
2-diethylamino-4-phenylthiazole

Conditions

Conditions	Yield
In ethanol for 0.666667h; Heating;	75%

: 7204-46-8
1,1-diethylthiourea

: 5469-26-1
1-Bromopinacolon

: 83893-94-1
(4-tert-Butyl-thiazol-2-yl)-diethyl-amine

Conditions

Conditions	Yield
In ethanol for 0.666667h; Heating;	65%

: 7204-46-8
1,1-diethylthiourea

: 65739-39-1
2,2′-bipyridine-6,6′-dicarbonyl dichloride

: 2,2′-bipyridine-6,6′-dicarbonyl bis(N,N-diethylthiourea)

Conditions

Conditions	Yield
Stage #1: 1,1-diethylthiourea; 2,2′-bipyridine-6,6′-dicarbonyl dichloride With triethylamine In tetrahydrofuran at 20℃; for 1h; Stage #2: With triethylamine In tetrahydrofuran at 50℃; for 0.75h;	65%

: 24238-62-8
3-(2-bromoacetyl)-4-hydroxy-2H-chromen-2-one

: 7204-46-8
1,1-diethylthiourea

: 944548-98-5
3-(2-diethylamino-thiazol-4-yl)-4-hydroxychromen-2-one

Conditions

Conditions	Yield
In ethanol Hantzsch reaction; Reflux;	63.34%
In ethanol Reflux;

: 7204-46-8
1,1-diethylthiourea

: 78-95-5
chloroacetone

: 164397-12-0
diethyl-(4-methyl-thiazol-2-yl)-amine

Conditions

Conditions	Yield
In ethanol for 0.666667h; Heating;	60%
With water

: 7204-46-8
1,1-diethylthiourea

: 534-07-6
1,3-Dichloroacetone

: 4-(chloromethyl)-N,N-diethylthiazol-2-amine

Conditions

Conditions	Yield
In ethanol at 80℃; for 16h;	53%
In acetone

: 7204-46-8
1,1-diethylthiourea

: 57375-25-4
3-bromorifamicin S

: 113102-19-5
2'-(N,N-diethylamino)rifamycin P

Conditions

Conditions	Yield
In methanol for 1.5h; Ambient temperature;	49%

: 18829-56-6
(E)-2-Nonenal

: 7204-46-8
1,1-diethylthiourea

: 1353053-42-5
(R)-1-(2-(diethylamino)thiazol-5-yl)heptan-1-ol

Conditions

Conditions	Yield
Stage #1: (E)-2-Nonenal With (S)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilanyl)oxy]methyl}pyrrolidine; dihydrogen peroxide In water; toluene at 20℃; for 24h; Stage #2: 1,1-diethylthiourea In water; toluene at 20℃; for 3h; enantioselective reaction;	45%

N,N-diethylthiourea Specification

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;

Product Name

N,N-DIETHYLTHIOUREA

Synthetic route

N,N-diethylthiourea Specification

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