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Thiourea
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Name

Thiourea

 EINECS 200-543-5
CAS No. 62-56-6 Density 1.326 g/cm3
PSA 84.13000 LogP 0.58930
Solubility 13.6 g/100 mL (20 °C) in water Melting Point 171 °C
Formula CH4N2S Boiling Point 186.836 °C at 760 mmHg
Molecular Weight 76.13 Flash Point 66.796 °C
Transport Information UN 2811 6.1/PG 3 Appearance white crystals or powder
Safety 36/37-61 Risk Codes 22-40-51/53-63
Molecular Structure Molecular Structure of 62-56-6 (Thiocarbamide) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Thiocarbamide;Urea, thio-;beta-Thiopseudourea;Pseudothiourea;Sulourea;Thio urea;Thiocarbonic acid diamide;.beta.-Thiopseudourea;Urea, thio- (8CI);Thiocarbamide, thiourea;Usaf ek-497;2-Thiopseudourea;Isothiourea;Thiomocovina [Czech];Sulfouren;Urea, 2-thio-;

Article Data 13

Thiourea Synthetic route

3129-90-6

isothiocyanic acid

62-56-6

thiourea

Conditions
ConditionsYield
With ammonia
326829-08-7

3-chloro-5,5-dimethyl-4,5-dihydroisoxazoline

62-56-6

thiourea

5,5-dimethyl-4,5-dihydroisoxazol-3-yl carbamimidothioate hydrobromide

Conditions
ConditionsYield
Stage #1: thiourea With hydrogen bromide In acetonitrile at 20℃; for 1h;
Stage #2: 3-chloro-5,5-dimethyl-4,5-dihydroxyisoxazole In acetonitrile at 40℃;		96%

5-thiocyanatomethyl-8-methyl-2H,4H-1,3-dioxino<4,5-c>pyridine

62-56-6

thiourea

C10H14N3O2S(1+)*ClH*Cl(1-)

Conditions
ConditionsYield
In ethanol for 1h; Heating;93%
797799-58-7

2-methyl-2-phenyl-1,3-oxathiolan-5-one

104-88-1

4-chlorobenzaldehyde

62-56-6

thiourea

C10H9ClN2OS2

Conditions
ConditionsYield
Stage #1: 2-methyl-2-phenyl-1,3-oxathiolan-5-one; 4-chlorobenzaldehyde With 1-n-butyl-3-methylimidazolim bromide In acetonitrile at 20℃; Knoevenagel condensation;
Stage #2: thiourea In acetonitrile at 20℃; optical yield given as %de; diastereoselective reaction;		93%
111335-14-9

5-chloromethyl-1,3-dioxinopyridine

62-56-6

thiourea

S-(8-methyl-2H,4H-1,3-dioxino<4,5-c>pyridyl)methylthiuronium hydrochloride

Conditions
ConditionsYield
In ethanol for 1h; Heating;91%
797799-58-7

2-methyl-2-phenyl-1,3-oxathiolan-5-one

100-10-7

4-dimethylamino-benzaldehyde

62-56-6

thiourea

C12H15N3OS2

Conditions
ConditionsYield
Stage #1: 2-methyl-2-phenyl-1,3-oxathiolan-5-one; 4-dimethylamino-benzaldehyde With 1-n-butyl-3-methylimidazolim bromide In acetonitrile at 20℃; Knoevenagel condensation;
Stage #2: thiourea In acetonitrile at 20℃; optical yield given as %de; diastereoselective reaction;		91%
1199-01-5

2-phenylazlactone

100-52-7

benzaldehyde

62-56-6

thiourea

C17H15N3O2S

Conditions
ConditionsYield
Stage #1: 2-phenylazlactone; benzaldehyde With 1-n-butyl-3-methylimidazolim bromide In acetonitrile at 20℃; Knoevenagel condensation;
Stage #2: thiourea In acetonitrile at 20℃; optical yield given as %de; diastereoselective reaction;		90%
1199-01-5

2-phenylazlactone

100-10-7

4-dimethylamino-benzaldehyde

62-56-6

thiourea

C19H20N4O2S

Conditions
ConditionsYield
Stage #1: 2-phenylazlactone; 4-dimethylamino-benzaldehyde With 1-n-butyl-3-methylimidazolim bromide In acetonitrile at 20℃; Knoevenagel condensation;
Stage #2: thiourea In acetonitrile at 20℃; optical yield given as %de; diastereoselective reaction;		89%

tert-butyl (1R,5S,6R)-6-(3-ethoxy-3-oxopropanoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

62-56-6

thiourea

tert-butyl (1R,5S,6r)-6-(6-hydroxy-2-mercaptopyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Conditions
ConditionsYield
With sodium methylate In methanol for 16h; Reflux; Inert atmosphere;88.6%
1199-01-5

2-phenylazlactone

104-88-1

4-chlorobenzaldehyde

62-56-6

thiourea

C17H14ClN3O2S

Conditions
ConditionsYield
Stage #1: 2-phenylazlactone; 4-chlorobenzaldehyde With 1-n-butyl-3-methylimidazolim bromide In acetonitrile at 20℃; Knoevenagel condensation;
Stage #2: thiourea In acetonitrile at 20℃; optical yield given as %de; diastereoselective reaction;		88%

Thiourea Chemical Properties

Molecule structure of Thiourea (CAS NO.62-56-6):

IUPAC Name: Thiourea 
Molecular Weight: 76.12086 g/mol
Molecular Formula: CH4N2S 
Density: 1.326 g/cm3 
Melting Point: 171 °C
Boiling Point: 186.8 °C at 760 mmHg 
Flash Point: 66.8 °C
Index of Refraction: 1.654
Molar Refractivity: 21.04 cm3
Molar Volume: 57.3 cm3
Polarizability: 8.34×10-24 cm3
Surface Tension: 89.5 dyne/cm 
Enthalpy of Vaporization: 42.31 kJ/mol
Vapour Pressure: 0.65 mmHg at 25 °C 
Storage Temp.: store at RT.
Water Solubility: 13.6 g/100 mL (20 °C)
XLogP3-AA: -0.8
H-Bond Donor: 2
Tautomer Count: 2
Exact Mass: 76.009519
MonoIsotopic Mass: 76.009519
Topological Polar Surface Area: 52
Heavy Atom Count: 4
Complexity: 29
Canonical SMILES: C(=S)(N)N
InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
EINECS: 200-543-5
Product Categories: Inorganic Chemicals;Organics

Thiourea Uses

 Thiourea is used as reagents used for analysis, complex indicator and chromatography reagents.

Thiourea Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 10gm/kg (10000mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 177, 1959.
guinea pig LDLo subcutaneous 4gm/kg (4000mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 177, 1959.
mammal (species unspecified) LD50 intraperitoneal 3500mg/kg (3500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 42, 1986.
mammal (species unspecified) LDLo oral 1gm/kg (1000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 42, 1986.
man LDLo unreported 147mg/kg (147mg/kg)   "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LDLo oral 6985mg/kg (6985mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 177, 1959.
rat LD50 intraperitoneal 436mg/kg (436mg/kg)   Food and Cosmetics Toxicology. Vol. 3, Pg. 597, 1965.
 
rat LD50 oral 125mg/kg (125mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 177, 1959.
women TDLo oral 1660mg/kg/5W (1660mg/kg) BLOOD: HEMORRHAGE

BLOOD: GRANULOCYTOPENIA

BLOOD: CHANGES IN CELL COUNT (UNSPECIFIED)		 Lancet. Vol. 246, Pg. 179, 1944.

Thiourea Safety Profile

Hazard Codes: HarmfulXn, DangerousN
Risk Statements: 22-40-51/53-63 
R22:Harmful if swallowed. 
R40:Limited evidence of a carcinogenic effect. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R63:Possible risk of harm to the unborn child.
Safety Statements: 36/37-61 
S36/37:Wear suitable protective clothing and gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: YU2800000
HazardClass: 6.1
PackingGroup: III
HS Code: 29309070
Hazardous Substances Data: 62-56-6(Hazardous Substances Data)

Thiourea Specification

 Thiourea (CAS NO.62-56-6) is also named as 2-Thiopseudourea ; 2-Thiourea ; AI3-03582 ; CCRIS 588 ; Caswell No. 855 ; EPA Pesticide Chemical Code 080201 ; HSDB 1401 ; Isothiourea ; NSC 5033 ; Pseudothiourea ; Pseudourea, 2-thio- ; RCRA waste number U219 ; Sulourea ; THU ; Thiocarbamide ; Thiocarbonic acid diamide ; Thiomocovina ; Thiomocovina [Czech] ; Thiuronium ; Tsizp 34 ; USAF EK-497 ; Urea, 2-thio- ; Urea, thio- ; beta-Thiopseudourea . Thiourea (CAS NO.62-56-6) is white crystals or powder . It is water soluble. Thiourea is toxic and carcinogenic. When heated to decomposition Thiourea emits very toxic fumes of oxides of sulfur and oxides of nitrogen. Violent exothermic polymerization reaction with acrylaldehyde (acrolein), violent decomposition of the reaction product with hydrogen peroxide and nitric acid , spontaneous explosion upon grinding with potassium chlorate. Poisonous inhaled or swallowed. Irritating to skin; may cause allergic skin eruptions.

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