CAS No.109-46-6,1,3-Dibutyl-2-thiourea Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109-46-6
Name:	1,3-Dibutyl-2-thiourea
Article Data:	26
Cas Database

Formula:	C₉H₂₀N₂S
Molecular Weight:	188.337
Synonyms:	Accel BUR-F;N,N'-Dibutylthiourea;1,3-Dibutylthiourea;NSC 3735;NSC 4148;Pennzone B;SancelerBUR;1,3-Dibutyl-2-thiourea;Urea,1,3-dibutyl-2-thio- (6CI,8CI);Thiate U;Stannine 5525;
EINECS:	203-674-6
Density:	0.942 g/cm³
Melting Point:	63-67 °C
Boiling Point:	251.5 °C at 760 mmHg
Flash Point:	105.9 °C
Solubility:	slightly soluble
Appearance:	white powder
Hazard Symbols:	Xn
Risk Codes:	22-20/21/22
Safety:	36/37-36
PSA:	56.15000
LogP:	2.83250

Synthetic route

: 534-18-9
sodium trithiocarbonate

: 109-73-9
N-butylamine

A: 2044-27-1
1-methyl-2-pyridinethione

B: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
With 2-chloro-1-methyl-pyridinium iodide In dichloromethane for 5h; Heating;	A 90% B 98%

...Expand

: 109-73-9
N-butylamine

: 17356-08-0
thiourea

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
With PEG-400 In water for 0.00833333h; microwave irradiation;	96%

: 75-15-0
carbon disulfide

: 109-73-9
N-butylamine

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
In water at 20℃; for 0.833333h; Solvent; Time; Green chemistry;	96%
In water at 20℃; for 0.833333h; Solvent; Green chemistry;	96%
With carbon tetrabromide In N,N-dimethyl-formamide at 20℃; for 0.3h; Cooling with ice;	91%
With cholin hydroxide at 20℃; Cooling with ice; Ionic liquid;	76%
at 100℃; for 12h; Ionic liquid; Green chemistry;	75%

: Ziram

: 109-73-9
N-butylamine

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
With triethanolamine; triethylamine In N,N-dimethyl-formamide for 2h; Heating;	78%

: 80094-32-2
O-isopropyl butylammonium dithiocarbonate

: 109-73-9
N-butylamine

A: 61613-08-9
O-isopropyl butylthiocarbamate

B: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
In benzene at 40℃; for 12h;	A 0.58 g B 59.8%
In benzene at 40℃; for 12h; Mechanism; Product distribution; Kinetics; thermal effects, ΔH;	A 0.58 g B 59.8%

...Expand

: 109-73-9
N-butylamine

: 419532-33-5
N-phenyl-1,2,3,4,5,7-pentathioazocane

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
In benzene for 6h; Reflux;	41%

: 75-15-0
carbon disulfide

: 5577-66-2
trimethyl(butyl-amino)silane

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
In ethyl acetate

: 109-73-9
N-butylamine

: 592-82-5
butyl isothiocyanate

: 109-46-6
1,3-dibutylthiourea

Conditions

Conditions	Yield
In ethanol
In dichloromethane at 0 - 25℃; for 1h;
In ethanol at 20℃;

: 75-15-0
carbon disulfide

: 109-73-9
N-butylamine

: 1972-28-7
diethylazodicarboxylate

A: diethyl 1-[(butylcarbamothioyl)sulfanyl]hydrazine-1,2-dicarboxylate

B: 109-46-6
1,3-dibutylthiourea

C: 592-82-5
butyl isothiocyanate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; N-butylamine In water for 0.166667h; Stage #2: diethylazodicarboxylate In water at 20℃; for 0.5h; Solvent;

...Expand

: 2602-34-8
(3-glycidyloxypropyl)triethoxysilane

: 109-46-6
1,3-dibutylthiourea

: N,N'-di-n-butyl-N,N'-bis({2-hydroxy-3-[3-(triethoxysilyl)propyloxy]propyl})thiourea

Conditions

Conditions	Yield
at 85 - 90℃; for 2.5h;	97.2%

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,3-Dibutyl-2-thiourea, with the CAS registry number 109-46-6, is also known as Urea,1,3-dibutyl-2-thio- (8CI). It belongs to the product categories of Industrial/Fine Chemicals; Organic Building Blocks; Sulfur Compounds; Thioureas. Its EINECS registry number is 203-674-6. This chemical's molecular formula is C₉H₂₀N₂S and molecular weight is 188.3335. Its IUPAC name is called 1,3-Dibutyl-2-thiourea. What's more, this chemical's classification code is Reproductive Effect. It can be used as vulcanization acclerants of natural rubber, butyl rubber, butylbenzene rubber and neoprene, especially to neoprene at low temperature can promote its rapid vulcanization. Meanwhile, this chemical can also be used as antiozonant of natural rubber, neoprene, butyl rubber and styrenebutadiene rubber.

Physical properties of 1,3-Dibutyl-2-thiourea: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 85.1; (5)ACD/BCF (pH 7.4): 85.1; (6)ACD/KOC (pH 5.5): 837.62; (7)ACD/KOC (pH 7.4): 837.64; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 58.22 cm³; (13)Molar Volume: 199.7 cm³; (14)Surface Tension: 37 dyne/cm; (15)Density: 0.942 g/cm³; (16)Flash Point: 105.9 °C; (17)Enthalpy of Vaporization: 48.89 kJ/mol; (18)Boiling Point: 251.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0203 mmHg at 25°C.

Preparation of 1,3-Dibutyl-2-thiourea: this chemical can be prepared by n-butylamine and CS₂ which react at 30 °C then heat at 100 °C. Finally, this chemical is obtained through last reaction of decomposition

1,3-Dibutyl-2-thiourea can be prepared by n-butylamine and CS2

Uses of 1,3-Dibutyl-2-thiourea: it can be used to produce benzothiazol-2-yl-butyl-amine at temperature of 60 °C. This reaction will need catalyst NiCl₂(PEt₃)2/NaBH₃CN and solvent dimethylformamide with reaction time of 60 hours. The yield is about 85%.

1,3-Dibutyl-2-thiourea can be used to produce benzothiazol-2-yl-butyl-amine

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCNC(=S)NCCCC
(2)InChI: InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
(3)InChIKey: KFFQABQEJATQAT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	800mg/kg (800mg/kg)		National Technical Information Service. Vol. AD277-689,
rat	LD50	oral	350mg/kg (350mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.