| Identification | More | [Name]
N,N'-DIISOPROPYLTHIOUREA | [CAS]
2986-17-6 | [Synonyms]
1,3-DIISOPROPYL-2-THIOUREA
1,3-DIISOPROPYLTHIOUREA
DIISOPROPYLTHIOUREA
N,N'-DIISOPROPYLTHIOUREA
SYM-DIISOPROPYLTHIOUREA
1,3-diisopropyl-2-thio-ure
n,n’-bis(1-methylethyl)-thioure
n,n’-bis(1-methylethyl)thiourea
N,N’-bis(1-methylethyl)-Thiourea
N,N'-Diisopropylthiorea
N,N''-DITORTBUTTHIOUREA | [EINECS(EC#)]
221-051-7 | [Molecular Formula]
C7H16N2S | [MDL Number]
MFCD00040485 | [Molecular Weight]
160.28 | [MOL File]
2986-17-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
143-145 °C (lit.) | [Boiling point ]
110°C (rough estimate) | [density ]
1.0247 (rough estimate) | [refractive index ]
1.6000 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
13.93±0.70(Predicted) | [color ]
White | [InChI]
InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10) | [InChIKey]
KREOCUNMMFZOOS-UHFFFAOYSA-N | [SMILES]
N(C(C)C)C(NC(C)C)=S | [CAS DataBase Reference]
2986-17-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Thiourea, n,n'-bis(1-methylethyl)-(2986-17-6) | [EPA Substance Registry System]
2986-17-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [WGK Germany ]
3
| [RTECS ]
YS9860000
| [HS Code ]
29309090 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow solid | [Uses]
N,N''-Diisopropylthiourea is a reagent for the improved synthesis of cefathiamidine. Studies on the chemical nature of the thyroid inhibiting actions of compounds. Design and testing of antithyroid agents with decreased antioxidant activity. | [Synthesis]
To a 50 mL round-bottomed flask equipped with a magnetic stirrer, carbon disulfide (5 mmol) and isopropylamine (10 mmol) were sequentially added under ice bath cooling conditions, followed by water (5 mL). The flask was sealed and the reaction mixture was vigorously stirred at room temperature. The progress of the reaction was monitored by thin layer chromatography (TLC with 10% methanol/chloroform or ethyl acetate/hexane solvent mixture as the unfolding agent). Upon completion of the reaction, for the unconsolidated reaction mixture, the water was removed under reduced pressure by rotary evaporator to obtain the solid product; for the reactions of entries 7, 9, 10, 11, 14, and 15, the reaction mixture self-consolidated at the completion of the reaction. The resulting solid product was purified by recrystallization from ethanol or solvent washing with ethyl acetate/hexane mixture. | [References]
[1] Synthetic Communications, 2015, vol. 45, # 2, p. 236 - 244
[2] Synthetic Communications, 2015, vol. 45, # 3, p. 376 - 385
[3] Journal of Heterocyclic Chemistry, 2016, vol. 53, # 2, p. 588 - 594
[4] Patent: US2849420, 1953, |
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