Ethylthiourea
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Ethylthiourea
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CAS No:
625-53-6
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Formula:
C3H8N2S
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Chemical Name:
Ethylthiourea
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Synonyms:
Thiourea,N-ethyl-;Urea,1-ethyl-2-thio-;Thiourea,ethyl-;N-Ethylthiourea;Ethylthiourea;ENT 61326;1-Ethylthiourea;1-Ethyl-2-thiourea;N-Ethylthiocarbamide;NSC 62921
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CAS No:
Characteristics
70.1
-0.21 (exp)
1.1±0.1 g/cm3
112 °C
132 °C
51.5±22.6 °C
1.549
soluble in water (24g/L).methanol: soluble 25mg/mL, clear, colorless
Store at RT
Henry's Law constant= 2.35X10-8 atm-cu m/mole @ 25 °C
Safety Information
III
6.1
UN 2811 6.1/PG 3
3
25
36/37/39-45
YT3700000
T
P301 + P310
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 46 companies from 2 notifications to the ECHA C&L Inventory.
No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./
Toxicity
Since N-ethylthiourea can be used as a corrosion inhibitor for metal, as a bactericide, as a photographic chemical agent and as a chemical intermediate(1), release to the environment may occur during waste disposal from its production and use(SRC).
TERRESTRIAL FATE: The estimated Koc(1,SRC) indicates that N-ethylthiourea may be highly mobile in soil(2). The estimated low value for Henry's Law constant(3) suggests that volatilization of N-ethylthiourea from moist soil would not be important(SRC).|AQUATIC FATE: Thiourea was found to be stable towards hydrolysis and photolysis. Therefore, hydrolysis and photolysis of N-ethylthiourea, which is structurally similar to thiourea, may not be important(SRC). Based on the estimated low value of 18(2,SRC) for Koc, adsorption of N-ethylthiourea to suspended solids and sediment should not be important and N-ethylthiourea should be present mostly in the aquatic phase in water(SRC). The estimated BCF value of less than 1(2,SRC) indicates that N-ethylthiourea would not bioconcentrate in aquatic organisms in water. Based on the estimated value of Henry's Law constant (H) of 2.35X10-8 atm-cu m/mole at 25 °C(3) and the volatility characteristics associated with H(2), volatilization of N-ethylthiourea from water would not be important(SRC).|ATMOSPHERIC FATE: Based on an estimation method(1), the rate constant for the reaction of vapor-phase N-ethylthiourea with photochemically generated hydroxyl radicals in the atmosphere is 9.96X10-11 cu cm/molecule-sec. Assuming the daily average concn of hydroxyl radicals in the atmosphere as 5X10+5/cu cm(2), the half-life for the reaction would be 4 hr. Based on a water solubility of 23,857 mg/l(SRC) estimated from the experimental log Kow value of -0.21(3) and a regression equation(4), wet deposition may partly remove N-ethylthiourea from the atmosphere(SRC). If present in particulate form, N-ethylthiourea may also be removed from the atmosphere by dry deposition(SRC).
In tests to assess the environmental hazard of chemicals, thiourea was found to be stable towards hydrolysis and photolysis(1). Therefore, hydrolysis and photolysis of N-ethylthiourea, which is structurally similar to thiourea, may not be important(SRC). Based on an estimation method, the rate constant for the reaction of vapor-phase N-ethylthiourea with hydroxyl radicals has been estimated to be 9.96X10-11 cu cm/molecule-sec(2,SRC). Assuming the daily average concn of hydroxyl radicals in the atmosphere of 5X10+5/cu cm(3), the half-life for this reaction has been estimated to be 4 hrs(SRC).
Based on a log Kow value of -0.21(1), the BCF for N-ethylthiourea can be estimated to be less than 1 from a regression-derived equation(2). Thus bioconcentration should not be important in aquatic organisms(SRC).
Based upon an experimental value of -0.21 for log Kow(1), the Koc for N-ethylthiourea can be estimated to be 18 from a linear regression-derived equation(2,SRC). This estimated Koc suggests that N-ethylthiourea will be highly mobile in soil(3,SRC).
The Henry's Law constant for N-ethylthiourea can be estimated to be approximately 2.35X10-8 atm-cu m/mole at 25 °C using a chemical structure estimation method(1,SRC). Based on this value and the volatility characteristics associated with Henry's Law constant(2), N-ethylthiourea should be less volatile than water.
Since N-ethylthiourea has been patented to be useful as a corrosion inhibitor for metal, as a bactericide, as a photographic chemical agent and as a chemical intermediate(1), the probable routes of exposure are inhalation of dust and skin absorption of the compound during its production, use and disposal(SRC).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 1,031 workers are potentially exposed to N-ethylthiourea in the USA(1).
Drug Information
In the manufacture of rubber, irritant contact dermatitis may occur from a variety of acids, alkalies, detergents, and solvents used in the process. Allergic contact dermatitis occurs not infrequently and is almost always due to an organic accelerator or antioxidant. While the list of potential sensitizing accelerators and antioxidants is enormous, common allergens include ... thioureas. /Thioureas/
N-ethylthiourea
Ethylthiourea Use and Manufacturing
N-ethylthiourea can be used as a corrosion inhibitor for metal, as a bactericide, as a photographic chemical agent and as a chemical intermediate.
Thiourea, N-ethyl-: INACTIVE
Computed Properties
Molecular Weight:104.18
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:104.04081944
Monoisotopic Mass:104.04081944
Topological Polar Surface Area:70.1
Heavy Atom Count:6
Complexity:52.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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