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| CAS No.: | 591-08-2 |
|---|---|
| Name: | N-ACETYLTHIOUREA |
| Article Data: | 21 |
| Molecular Structure: | |
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|
|
| Formula: | C3H6 N2 O S |
| Molecular Weight: | 118.159 |
| Synonyms: | Urea,1-acetyl-2-thio- (6CI,7CI,8CI); 1-Acetyl-2-thiourea; 1-Acetylthiourea;Acetothiourea; Acetylthiocarbamide; Acetylthiourea;N-(Aminothioxomethyl)acetamide; N-Acetyl-2-thiourea; N-Acetylthiocarbamide;N-Acetylthiourea; NSC 7597 |
| EINECS: | 209-699-9 |
| Density: | 1.275 g/cm3 |
| Melting Point: | 165-169 °C(lit.) |
| Boiling Point: | 208.6 °C at 760 mmHg |
| Flash Point: | 80 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25 |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFIDES. |
| Transport Information: | UN 2811 6 |
| PSA: | 87.21000 |
| LogP: | 0.45730 |
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Chemistry
Molecular Formula: C3H6N2OS
Molar mass: 118.1575 g/mol
EINECS: 209-699-9
Density: 1.275 g/cm3
Flash Point: 80 °C
Index of Refraction: 1.569
Boiling Point: 208.6 °C at 760 mmHg
Vapour Pressure: 0.212 mmHg at 25°C
Melting point: 165-169 °C(lit.)
Water solubility: Slightly soluble
Appearance: White crystalline solid
Product categories of Acetothiourea (591-08-2): Organic Building Blocks;Thioureas;Sulfur Compounds
Structure of Acetothiourea (591-08-2):
XLogP3-AA: -0.1
H-Bond Donor: 2
H-Bond Acceptor: 1
Systematic Name: N-Carbamothioylacetamide
SMILES: O=C(NC(=S)N)C
InChI: InChI=1/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
InChIKey: IPCRBOOJBPETMF-UHFFFAOYAN
Std. InChI: InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
Std. InChIKey: IPCRBOOJBPETMF-UHFFFAOYSA-N
Uses
Acetothiourea (591-08-2) can be used for organic synthesis.
Production
Acetothiourea (591-08-2) can be obtained by the reaction of Thiourea and Chloride .
Toxicity Data With Reference
| 1. | orl-rat LD50:50 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. | ||
| 2. | ipr-rat LDLo:400 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 97 (1949),478. | ||
| 3. | orl-mus LDLo:94 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 14 (1985),111. | ||
| 4. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFIDES.
Hazard Note: Highly Toxic
Hazard Codes: T.gif){kind=small}
Risk Statements:
25: Toxic if swallowed
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
Acetothiourea (591-08-2) also can be called 1-Acetylthiourea ; N-Acetyl-2-thiourea ; Urea, 1-acetyl-2-thio- ; Acetyl-2-thiourea and N-Acetylthiourea .It is incompatible with strong acids, strong oxidizing agents and strong bases. Decomposes when heated to give toxic oxides of sulfur and nitrogen.Inhalation, ingestion or skin contact with material may cause severe injury or death.Contact with molten substance may cause severe burns to skin and eyes.Avoid any skin contact.Effects of contact or inhalation may be delayed.Fire may produce irritating, corrosive and/or toxic gases.Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.