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Conditions | Yield |
---|---|
With ammonia |
3-chloro-5,5-dimethyl-4,5-dihydroisoxazoline
thiourea
Conditions | Yield |
---|---|
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% |
thiourea
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 93% |
Conditions | Yield |
---|---|
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% |
5-chloromethyl-1,3-dioxinopyridine
thiourea
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 91% |
2-methyl-2-phenyl-1,3-oxathiolan-5-one
4-dimethylamino-benzaldehyde
thiourea
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
thiourea
Conditions | Yield |
---|---|
With sodium methylate In methanol for 16h; Reflux; Inert atmosphere; | 88.6% |
Conditions | Yield |
---|---|
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% |
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 is used as reagents used for analysis, complex indicator and chromatography reagents.
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. |
Hazard Codes: Xn, N
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 (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.