Cas no 1719-76-2 (1-Isopropylthiourea)
1-Isopropylthiourea Chemical and Physical Properties
Names and Identifiers
-
- Isopropylthiourea
- propan-2-ylthiourea
- 1-iso-propyl-2-thiourea
- i-propylthiourea
- Isopropylthioharnstoff
- N-Isopropylthiourea
- Urea,1-isopropyl-2-thio
- USAF D-6
- A811371
- 1-Isopropyl-2-thiourea
- MFCD00041375
- 1719-76-2
- 1-isopropyl-2-thio-urea
- Thiourea,N-(1-methylethyl)-
- isopropylisothiourea
- SCHEMBL329850
- 284G15B4P4
- FT-0607981
- DTXSID80169184
- Urea, 1-isopropyl-2-thio-
- D86344
- FS-3849
- UNII-284G15B4P4
- Z56979374
- EN300-09529
- BRN 1743052
- NS00025639
- POXAIQSXNOEQGM-UHFFFAOYSA-N
- CS-0180918
- isopropyl-thiourea
- Thiourea, (1-methylethyl)-
- 1-Isopropylthiourea
- Q27254262
- Isopropyl thiourea
- AKOS001052634
- (propan-2-yl)thiourea
- 4-04-00-00525 (Beilstein Handbook Reference)
- DB-019228
-
- MDL: MFCD00041375
- Inchi: 1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
- InChI Key: POXAIQSXNOEQGM-UHFFFAOYSA-N
- SMILES: S=C(N)NC(C)C
- BRN: 1743052
Computed Properties
- Exact Mass: 118.05600
- Monoisotopic Mass: 118.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 70.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 0.4
- Topological Polar Surface Area: 70.1A^2
Experimental Properties
- Color/Form: White crystalline powder.
- Density: 1.051
- Melting Point: 169-170°C
- Boiling Point: 173.8 °C at 760 mmHg
- Flash Point: 58.9 °C
- Refractive Index: 1.534
- PSA: 70.14000
- LogP: 1.31920
- Solubility: Soluble in water.
1-Isopropylthiourea Security Information
- Hazardous Material transportation number:2811
- Hazard Category Code: 22
- Safety Instruction: S22-S36/37/39
- RTECS:YT6125000
- Safety Term:S22;S36/37
- Packing Group:III
- Risk Phrases:R22
- Packing Group:III
- PackingGroup:III
- Storage Condition:(BD135339)
1-Isopropylthiourea Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1-Isopropylthiourea Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018760-1g |
1-iso-Propyl-2-thiourea |
1719-76-2 | 99.8% | 1g |
£11.00 | 2022-03-01 | |
| Fluorochem | 018760-5g |
1-iso-Propyl-2-thiourea |
1719-76-2 | 99.8% | 5g |
£31.00 | 2022-03-01 | |
| Fluorochem | 018760-25g |
1-iso-Propyl-2-thiourea |
1719-76-2 | 99.8% | 25g |
£109.00 | 2022-03-01 | |
| Fluorochem | 018760-100g |
1-iso-Propyl-2-thiourea |
1719-76-2 | 99.8% | 100g |
£325.00 | 2022-03-01 | |
| TRC | I874450-10mg |
1-Isopropylthiourea |
1719-76-2 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | I874450-50mg |
1-Isopropylthiourea |
1719-76-2 | 50mg |
$ 65.00 | 2022-06-02 | ||
| TRC | I874450-100mg |
1-Isopropylthiourea |
1719-76-2 | 100mg |
$ 80.00 | 2022-06-02 | ||
| Ambeed | A638338-1g |
1-Isopropylthiourea |
1719-76-2 | 98% | 1g |
$12.0 | 2025-02-21 | |
| Chemenu | CM344291-10g |
N-Isopropylthiourea |
1719-76-2 | 95%+ | 10g |
$108 | 2023-02-02 | |
| Chemenu | CM344291-25g |
N-Isopropylthiourea |
1719-76-2 | 95%+ | 25g |
$172 | 2023-02-02 |
1-Isopropylthiourea Suppliers
1-Isopropylthiourea Related Literature
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Meng Liu,Bin Wang,Li Pan,Xiao-Hui Liu,Yue-sheng Li Polym. Chem. 2022 13 3451
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Vjekoslav ?trukil,Marina D. Igrc,László Fábián,Mirjana Eckert-Maksi?,Scott L. Childs,David G. Reid,Melinda J. Duer,Ivan Halasz,Cristina Mottillo,Tomislav Fri??i? Green Chem. 2012 14 2462
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C. N. R. Rao,Umesh P. Agarwal,K. Gurudath Rao Faraday Discuss. Chem. Soc. 1977 64 160
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4. Some derivatives of tetra- and hexa-hydro-4 : 6-dioxopyrimidineW. R. Boon,H. C. Carrington,N. Greenhalgh,C. H. Vasey J. Chem. Soc. 1954 3263
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5. Some derivatives of tetra- and hexa-hydro-4 : 6-dioxopyrimidineW. R. Boon,H. C. Carrington,N. Greenhalgh,C. H. Vasey J. Chem. Soc. 1954 3263
Additional information on 1-Isopropylthiourea
Chemical Profile of 1-Isopropylthiourea (CAS No. 1719-76-2)
1-Isopropylthiourea, with the chemical formula C?H?NS and CAS number 1719-76-2, is a sulfur-containing organic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound belongs to the thiourea derivatives, a class of molecules known for their diverse biological activities. The structural uniqueness of 1-Isopropylthiourea lies in its isopropyl group attached to the sulfur atom, which influences its reactivity and potential applications. Over the years, researchers have explored its utility in various synthetic pathways, particularly in the development of heterocyclic compounds and as an intermediate in drug synthesis.
The chemical properties of 1-Isopropylthiourea make it a versatile building block in organic synthesis. Its ability to participate in nucleophilic substitution reactions, as well as its reactivity with electrophilic centers, allows for the construction of complex molecular architectures. In recent years, advancements in synthetic methodologies have enabled more efficient and scalable production of 1-Isopropylthiourea, making it more accessible for industrial applications. This has opened new avenues for its use in pharmaceutical intermediates and specialty chemicals.
One of the most compelling aspects of 1-Isopropylthiourea is its potential role in medicinal chemistry. Thiourea derivatives have long been recognized for their pharmacological properties, including antimicrobial, antiviral, and anticancer activities. The isopropyl group in 1-Isopropylthiourea introduces steric hindrance, which can modulate the compound's interactions with biological targets. Recent studies have demonstrated that modifications to thiourea derivatives can lead to enhanced binding affinity and selectivity for specific enzymes or receptors. For instance, researchers have explored the use of 1-Isopropylthiourea as a precursor in designing small-molecule inhibitors targeting metabolic pathways involved in diseases such as diabetes and cancer.
In the realm of agrochemicals, 1-Isopropylthiourea has shown promise as a component in pesticide formulations. Its structural features allow it to interact with biological systems in ways that disrupt pest growth or activity. While traditional thiourea-based pesticides have faced regulatory scrutiny due to environmental concerns, newer derivatives like 1-Isopropylthiourea are being designed with improved environmental profiles. This includes enhanced biodegradability and reduced persistence in soil and water systems. Such developments are crucial for sustainable agriculture, where minimizing ecological impact while maintaining efficacy is paramount.
The synthesis of 1-Isopropylthiourea typically involves the reaction between isopropanol and carbon disulfide under controlled conditions. This process requires careful optimization to ensure high yields and purity. Recent innovations in catalytic systems have improved the efficiency of this reaction, reducing energy consumption and waste generation. Green chemistry principles are increasingly being applied to refine synthetic routes for compounds like 1-Isopropylthiourea, aligning with global efforts to promote sustainable chemical manufacturing.
From a research perspective, 1-Isopropylthiourea continues to be a subject of interest due to its potential applications beyond traditional uses. For example, its role as a ligand in coordination chemistry has been explored for developing novel catalysts. These catalysts could be employed in various transformations, including cross-coupling reactions that are pivotal in drug discovery. The ability of 1-Isopropylthiourea to form stable complexes with transition metals opens up possibilities for designing organometallic compounds with tailored properties.
The pharmacological relevance of 1-Isopropylthiourea has also led to investigations into its mechanisms of action at the molecular level. Computational studies have helped elucidate how this compound interacts with biological targets, providing insights into its efficacy and potential side effects. Such knowledge is invaluable for drug design, allowing researchers to fine-tune molecular structures for optimal therapeutic outcomes. Additionally, the use of high-throughput screening technologies has accelerated the discovery process by rapidly testing thousands of compounds for biological activity.
In conclusion, 1-Isopropylthiourea (CAS No. 1719-76-2) represents a fascinating compound with broad applications across multiple domains. Its unique structural features make it a valuable intermediate in organic synthesis, while its potential biological activities position it as a key player in pharmaceutical research. As advancements continue to emerge in synthetic chemistry and drug development, the significance of compounds like 1-Isopropylthiourea is expected to grow further. The ongoing exploration of its properties and applications underscores its importance as a chemical entity worthy of continued study and innovation.
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