Benzoylthiourea supplier | CasNO.614-23-3

Name
1-BENZOYL-2-THIOUREA
EINECS -0
CAS No. 614-23-3
Article Data36
CAS DataBase
Density 1.301g/cm³
Solubility Insoluble in water.
Melting Point 174-176°C
Formula C₈H₈N₂OS
Boiling Point 319.5 °C at 760 mmHg
Molecular Weight 180.23
Flash Point 147.1 °C
Transport Information
Appearance
Safety 22-36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Urea,1-benzoyl-2-thio- (6CI,7CI,8CI);1-Benzoyl-2-thiourea;1-Benzoylthiourea;Benzoylthiourea;N-Benzoylthiourea;NSC 5784;Necacyl;N-carbamothioylbenzamide;
PSA 87.21000
LogP 1.75120

Synthetic route

: 1147550-11-5
ammonium thiocyanate

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
With polyethylene glycol-400 In dichloromethane at 20℃;	85.2%
With p,p'-diaminobiphenyl 1.) acetone, 15 min; 2.) acetone, reflux, 1 h; Multistep reaction;

: 27182-54-3
5-phenyl-1,2,4-thiadiazol-3-amine

: 532-55-8
Benzoyl isothiocyanate

A: 614-23-3
N-benzoylthiourea

B: 97149-59-2
3--5-phenyl-1,2,4-thiadiazole

Conditions

Conditions	Yield
In acetone for 1h; Heating; Yields of byproduct given;	A n/a B 82%

...Expand

: 532-55-8
Benzoyl isothiocyanate

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
With ammonium hydroxide	80%
With ammonium hydroxide In acetone at 27℃;	79%
With 2-amino-2-hydroxymethyl-1,3-propanediol In dichloromethane at 20℃;	66.4%

: 333-20-0
potassium thioacyanate

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
Stage #1: potassium thioacyanate; benzoyl chloride In acetone at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Heating; Stage #2: With ammonium hydroxide at 20℃; for 0.5h; Inert atmosphere; Schlenk technique;	52%
In acetone Heating;
With ammonium hydroxide In acetone

: 75-64-9
tert-butylamine

: 532-55-8
Benzoyl isothiocyanate

A: 614-23-3
N-benzoylthiourea

B: 22283-39-2
N-benzoyl-N'-t-butylthiourea

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.5h;	A 34% B n/a

...Expand

: 1113-62-8
3-methyl-4-amino-3-penten-2-one

: 532-55-8
Benzoyl isothiocyanate

A: 614-23-3
N-benzoylthiourea

B: 85741-87-3
N-benzoyl-N'-(1,2-dimethyl-3-oxo-1-butenyl)thiourea

Conditions

Conditions	Yield
In benzene for 24h;	A 7 g B 17%

...Expand

: 95512-60-0
1-nitro-2-amino-1-propene

: 532-55-8
Benzoyl isothiocyanate

A: 614-23-3
N-benzoylthiourea

B: 6-methyl-5-nitro-2-phenyl-4(1H)-pyrimidinethione

C: N-benzoyl-3-amino-2-nitro-2-butenethioamide

Conditions

Conditions	Yield
In benzene at 50℃; for 100h;	A 8% B 2% C 17%

...Expand

: 36029-56-8
S-Benzylisothiouronium chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
(hydrolysis);
beim Erhitzen;

: 98-88-4
benzoyl chloride

: 17356-08-0
thiourea

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
at 120℃;
at 120℃;
In acetone

: 540-72-7
sodium thiocyanide

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
With ammonium hydroxide In acetone

: 4921-91-9
N-benzoyl-N'-benzylthiourea

A: 614-23-3
N-benzoylthiourea

B: 55-21-0
benzamide

C: 622-78-6
Benzyl isothiocyanate

D: 100-52-7
benzaldehyde

E: 532-55-8
Benzoyl isothiocyanate

F: 134-81-6
benzil

Conditions

Conditions	Yield
With air at 230℃; for 10h; Mechanism; Product distribution; further identificated products isolated; analogous reaction of other thiourea derivatives;

...Expand

: 90559-00-5
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide

: 532-55-8
Benzoyl isothiocyanate

A: 614-23-3
N-benzoylthiourea

B: 97149-68-3
5-amino-3--1,2,4-thiadiazole

Conditions

Conditions	Yield
With sodium 1.) 30-35 deg C, 15-20 min, 2.) acetone, RT, 2.5 h, reflux, RT, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 74346-74-0
1-Acetyl-3-benzoyl-2-thiourea

A: 614-23-3
N-benzoylthiourea

B: 591-08-2
acetylthiourea

Conditions

Conditions	Yield
With sodium methylate In methanol at 25℃; Rate constant; var. buffers, var. ionic strength, other reagent;

: 74346-73-9
N-[(phenylcarbonyl)carbamothioyl]benzamide

A: 614-23-3
N-benzoylthiourea

B: 17356-08-0
thiourea

Conditions

Conditions	Yield
With sodium methylate In methanol at 25℃; Rate constant; Mechanism; var. buffers, var. ionic strength;

: 28241-61-4
ammonia thiocyanic acid

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
In acetone for 1h; Heating;

: 7664-41-7
ammonia

: 532-55-8
Benzoyl isothiocyanate

: 614-23-3
N-benzoylthiourea

S-benzoyl-isothiourea hydrochloride: S-benzoyl-isothiourea hydrochloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
beim Erhitzen auf den Schmelzpunkt;

: 7647-01-0
hydrogenchloride

: N-benzoylthiocarbamoyl-benzimidic acid isobutyl ester

: 614-23-3
N-benzoylthiourea

: 98-88-4
benzoyl chloride

tetrabutyl ammonium [Zn(2-thione-1,3-dithiole-4,5-dithiolate)2]: tetrabutyl ammonium [Zn(2-thione-1,3-dithiole-4,5-dithiolate)2]

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: polyethylene glycol-400 / CH2Cl2 / 1 h / 20 °C 2: 66.4 percent / tris(hydroxymethyl)aminomethane / CH2Cl2 / 20 °C View Scheme
Multi-step reaction with 2 steps 1: polyethylene glycol-400 / CH2Cl2 / 1 h / 20 °C 2: 34 percent / CH2Cl2 / 0.5 h / 20 °C View Scheme

: 98-88-4
benzoyl chloride

lead sulfide: lead sulfide

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetone / 0.08 h / Heating 2: acetone / 1 h / Heating View Scheme
Multi-step reaction with 2 steps 1: acetone / 0.08 h / Heating 2: 2.) Na / 1.) 30-35 deg C, 15-20 min, 2.) acetone, RT, 2.5 h, reflux, RT, 1 h View Scheme

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzene 2: beim Erhitzen View Scheme
Multi-step reaction with 2 steps 1: dichloromethane / 10 - 39 °C / Inert atmosphere 2: ammonia / dichloromethane / 20 - 30 °C View Scheme
Multi-step reaction with 2 steps 1: dichloromethane / 1.33 h / 10 - 39 °C / Inert atmosphere 2: ammonia / dichloromethane / 30 °C View Scheme

: ammonium thiocyanate

: 1336-21-6
ammonium hydroxide

: 98-88-4
benzoyl chloride

: 614-23-3
N-benzoylthiourea

Conditions

Conditions	Yield
In ethanol; water; acetone

...Expand

: 70-23-5
ethyl Bromopyruvate

: 614-23-3
N-benzoylthiourea

: ethyl 2-benzamidothiazole-4-carboxylate

Conditions

Conditions	Yield
In ethanol for 2h; Inert atmosphere; Schlenk technique; Reflux;	94%
In ethanol

: 614-23-3
N-benzoylthiourea

: 15150-25-1
N-cyanobenzamide

Conditions

Conditions	Yield
With copper(l) iodide; sodium hydroxide In dimethyl sulfoxide at 90℃; for 2.5h;	91%
With sodium azide; lead(II) oxide

: 614-23-3
N-benzoylthiourea

: 64119-10-4
C9H11ClN2O

: 75127-73-0
N-{[1-(4-Ethoxy-phenyl)-thioureido]-imino-methyl}-benzamide; hydrochloride

Conditions

Conditions	Yield
In acetone at 0 - 5℃;	82%

: 614-23-3
N-benzoylthiourea

: 187806-29-7
[6-Hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methyl bromide

: 1-Benzoyl-2-[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-5-ylmethyl]-isothiourea; hydrobromide

Conditions

Conditions	Yield
In hexane; acetonitrile at 50℃; for 2h;	82%

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 614-23-3
N-benzoylthiourea

: C11H7Cl2N5OS

Conditions

Conditions	Yield
In acetone for 4h; Cooling with ice;	81%

: 614-23-3
N-benzoylthiourea

: 76242-33-6
4-bromoacetyl-3-(4-chlorophenyl)sydnone

: C18H11ClN4O3S

Conditions

Conditions	Yield
In ethanol for 0.25h; Ambient temperature;	78%

: 614-23-3
N-benzoylthiourea

: 64119-09-1
C8H9ClN2O

: 75127-72-9
N-{Imino-[1-(4-methoxy-phenyl)-thioureido]-methyl}-benzamide; hydrochloride

Conditions

Conditions	Yield
In acetone at 0 - 5℃;	76%

: 614-23-3
N-benzoylthiourea

: 76242-35-8
4-bromoacetyl-3-(4-methoxyphenyl)sydnone

: C19H14N4O4S

Conditions

Conditions	Yield
In ethanol for 0.25h; Ambient temperature;	76%

: 614-23-3
N-benzoylthiourea

: 185-80-8
1-oxa-2-azaspiro[2.5]octane

: 117840-40-1
5-Benzoylimino-3,3-pentamethylen-1,2,4-thiadiazolidin

Conditions

Conditions	Yield
In toluene at 20 - 25℃; for 4h;	75%

: bis(μ2-chloro)-tris(triphenylphosphine)-di-copper(I) complex

: 614-23-3
N-benzoylthiourea

: CuCl(N-carbamothioylbenzamide)(PPh3)2

Conditions

Conditions	Yield
With triphenylphosphine In benzene at 27℃;	69%

: 614-23-3
N-benzoylthiourea

: 100-46-9
benzylamine

: 1-benzoyl-3-benzylguanidine

Conditions

Conditions	Yield
With aluminum oxide; potassium fluoride at 100℃; for 0.333333h; microwave irradiation;	68%

: 614-23-3
N-benzoylthiourea

: 536-38-9
4-chlorobenzoylmethyl bromide

: 87637-30-7
2-(N-benzoylamino)-4-(4-chlorophenyl)thiazole

Conditions

Conditions	Yield
In ethanol at 80℃; for 0.5h; Microwave irradiation;	66%

: 614-23-3
N-benzoylthiourea

: 64119-07-9
C8H9ClN2

: 75127-70-7
N-[Imino-(1-p-tolyl-thioureido)-methyl]-benzamide; hydrochloride

Conditions

Conditions	Yield
In acetone at 0 - 5℃;	65%

: 614-23-3
N-benzoylthiourea

: 76242-34-7
4-bromoacetyl-3-(4-methylphenyl)sydnone

: C19H14N4O3S

Conditions

Conditions	Yield
In ethanol for 0.25h; Ambient temperature;	64%

: 614-23-3
N-benzoylthiourea

: 51126-04-6
4-bromoacetyl-3-phenylsydnone

: 4-(2-benzoylamino-4-thiazolyl)-3-phenylsydnone

Conditions

Conditions	Yield
In ethanol for 0.25h; Ambient temperature;	63.7%

: 614-23-3
N-benzoylthiourea

: 64119-04-6
phenylcyanamide hydrochloride

: 75127-69-4
1-(Benzoylformamidino)-1-phenylthiocarbamide hydrochloride

Conditions

Conditions	Yield
In acetone at 0 - 5℃; for 0.75h;	60%

: 614-23-3
N-benzoylthiourea

: 64119-13-7
C7H6Cl2N2

: 75127-71-8
1-benzoylformamidino-1-(p-chlorophenyl)thiocarbamide hydrochloride

Conditions

Conditions	Yield
In acetone at 0 - 5℃;	50%

: 614-23-3
N-benzoylthiourea

: 916597-44-9
ethyl 2-(2-bromoacetyl)pent-2-enoate

A: 1450899-58-7
ethyl (Z)-2-(2-benzamidothiazol-4-yl)pent-2-enoate

B: 1450899-75-8
ethyl (E)-2-(2-benzamidothiazol-4-yl)pent-2-enoate

Conditions

Conditions	Yield
In dichloromethane; N,N-dimethyl-formamide at 0℃; for 2h; Time; stereoselective reaction;	A 43% B 40%

...Expand

: 614-23-3
N-benzoylthiourea

: 74-88-4
methyl iodide

: 6966-84-3
1-benzoyl-2-methylisothiourea hydroiodide

Conditions

Conditions	Yield
In dichloromethane	37%

: 6061-04-7
1,1-dichloro-2-nitro ethylene

: 614-23-3
N-benzoylthiourea

: (Z)-N-(5-(nitromethylene)-1,4,2-dithiazol-3-yl)benzamide

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In chloroform at -10℃;	37%

: 614-23-3
N-benzoylthiourea

: 108-24-7
acetic anhydride

: 74346-74-0
1-Acetyl-3-benzoyl-2-thiourea

Conditions

Conditions	Yield
With pyridine for 0.166667h; Heating;	13.5%

: 24442-57-7
1,2-dibromoethyl acetate

: 614-23-3
N-benzoylthiourea

: 13053-82-2
N-(1,3-thiazol-2-yl)benzamide

Conditions

Conditions	Yield
With methanol

Benzoylthiourea Specification

The Benzoylthiourea, with CAS registry number 614-23-3, belongs to the following product categorie: Heterocycles. Its systematic name and its IUPAC name are the same, which is N-carbamothioylbenzamide. Besides this, it is also called Benzamide, N-(aminothioxomethyl)-. And this chemical should be stored in cool, dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 59.26; (8)ACD/KOC (pH 7.4): 59.16; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 50.7 cm³; (15)Molar Volume: 138.4 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 66.9 dyne/cm; (18)Enthalpy of Vaporization: 56.11 kJ/mol; (19)Vapour Pressure: 0.000336 mmHg at 25°C.

Preparation: this chemical can be prepared by benzoyl isothiocyanate. This reaction will need reagent ammonia.

When you are using this chemical, please be cautious about it as the following:
The Benzoylthiourea is harmful if swallowed, so please do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(=S)N)c1ccccc1
(2)InChI: InChI=1/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
(3)InChIKey: DQMWMUMCNOJLSI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
(5)Std. InChIKey: DQMWMUMCNOJLSI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	178mg/kg (178mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00509,

Product Name

1-BENZOYL-2-THIOUREA

Synthetic route

Benzoylthiourea Specification

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