1-tert-butyl-2-thiourea
1-tert-butyl-2-thiourea structure
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Common Name | 1-tert-butyl-2-thiourea | ||
|---|---|---|---|---|
| CAS Number | 7204-48-0 | Molecular Weight | 132.22700 | |
| Density | 1.028g/cm3 | Boiling Point | 187.2ºC at 760 mmHg | |
| Molecular Formula | C5H12N2S | Melting Point | 171-172°C | |
| MSDS | N/A | Flash Point | 67ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-(tert-Butyl)thiourea |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.028g/cm3 |
|---|---|
| Boiling Point | 187.2ºC at 760 mmHg |
| Melting Point | 171-172°C |
| Molecular Formula | C5H12N2S |
| Molecular Weight | 132.22700 |
| Flash Point | 67ºC |
| Exact Mass | 132.07200 |
| PSA | 70.14000 |
| LogP | 1.70930 |
| Index of Refraction | 1.527 |
| InChIKey | RYOCWONLFFPYMN-UHFFFAOYSA-N |
| SMILES | CC(C)(C)NC(N)=S |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: tert-Butylthiourea Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed
P308+P313:IF exposed or concerned: Get medical advice/attention P330:Rinse mouth Section3. Composition/information on ingredients. Ingredient name:tert-Butylthiourea CAS number:7204-48-0 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C5H12N2S Molecular weight:132.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Risk Phrases | R22 |
|---|---|
| Safety Phrases | S22-S36/37 |
| Packaging Group | III |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
1-tert-butyl-2-... CAS#:7204-48-0 |
| Literature: Kodomari, Mitsuo; Suzuki, Masato; Tanigawa, Keiko; Aoyama, Tadashi Tetrahedron Letters, 2005 , vol. 46, # 35 p. 5841 - 5843 |
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~%
1-tert-butyl-2-... CAS#:7204-48-0 |
| Literature: Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 11, p. 171 Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, , p. 517 Justus Liebigs Annalen der Chemie, , vol. 568, p. 192,197 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of the Burkholderia mallei acyl-homoserine lactone synthase BmaI1
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: autoinducer synthetase family protein [Burkholderia mallei ATCC 23344]
External Id: HMS1126
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| tert-butylthiourea |
| MFCD00041192 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of N-(tert-Butyl)thiourea? |
| A: Molecular weight of N-(tert-Butyl)thiourea is 132.22700. |
| Q: What is the CAS number of N-(tert-Butyl)thiourea? |
| A: CAS number of N-(tert-Butyl)thiourea is 7204-48-0. |
| Q: What is the InChIKey of N-(tert-Butyl)thiourea? |
| A: InChIKey of N-(tert-Butyl)thiourea is RYOCWONLFFPYMN-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of N-(tert-Butyl)thiourea? |
| A: Polar surface area (PSA) of N-(tert-Butyl)thiourea is 70.14000. |
| Q: What is the molecular formula of N-(tert-Butyl)thiourea? |
| A: Molecular formula of N-(tert-Butyl)thiourea is C5H12N2S. |
| Q: What is the melting point of N-(tert-Butyl)thiourea? |
| A: Melting point of N-(tert-Butyl)thiourea is 171-172°C. |
| Q: What English synonyms does N-(tert-Butyl)thiourea have? |
| A: English synonyms of N-(tert-Butyl)thiourea: tert-butylthiourea, MFCD00041192. |
| Q: What is the English name of N-(tert-Butyl)thiourea? |
| A: The English name of N-(tert-Butyl)thiourea is N-(tert-Butyl)thiourea. |
| Q: What is the SMILES notation of N-(tert-Butyl)thiourea? |
| A: SMILES notation of N-(tert-Butyl)thiourea is CC(C)(C)NC(N)=S. |
| Q: What are the upstream materials of N-(tert-Butyl)thiourea? |
| A: Related upstream materials(CAS) of N-(tert-Butyl)thiourea: 22283-39-2;590-42-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |