Cas no 4041-95-6 (1,3-Di-tert-butylthiourea)
1,3-Di-tert-butylthiourea Chemical and Physical Properties
Names and Identifiers
-
- N,N'-Di-tert-butylthiourea
- Dibutylthiourea
- 1,3-ditert-butylthiourea
- 1,3-di-t-butylthiourea
- 1,3-Di-tert-butyl-2-thiourea
- 1,3-Di-tert-butylthiourea
- di-tert-butyl-thiourea
- N,N′-Di-tert-butylthiourea
- N,N'-di-t-butylthiourea
- N,N'-Di-tert-butyl-thioharnstoff
- N,N-di-tert-butylthiourea
- N,N'-Di(tert-butyl)thiourea
- 1,3-(Di-tert-butyl)thiourea
- NSC47496
- Thiourea, N,N'-bis(1,1-dimethylethyl)-
- 1,3-[di-tert-butyl]thiourea
- MLS000736623
- bis[(tert-butyl)amino]methane-1-thione
- Urea, 1,3-di-tert-butyl-2-thio-
- di-tert-Butyl thiourea
- N,N'-di(t-butyl)thiourea
- 1,3-di-tert-butyl-thiourea
- Urea,3-di-tert-butyl-2-thio-
- CHEMBL1432925
- NSC-47496
- G4E9J58U85
- InChI=1/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
- N,N'-Bis(1,1-dimethylethyl)thiourea
- HMS2885P08
- FS-4048
- SCHEMBL1276388
- CS-0207103
- AKOS000313698
- Thiourea,N'-bis(1,1-dimethylethyl)-
- MFCD00026272
- SMR000528222
- FT-0629432
- DTXSID80193424
- LTMHEXFMSAISLN-UHFFFAOYSA-
- A825094
- NSC 47496
- W-106355
- EINECS 223-732-4
- 4041-95-6
- NS00030780
- NCGC00246818-01
- LTMHEXFMSAISLN-UHFFFAOYSA-N
- AI3-24636
- STK399910
- DB-070007
-
- MDL: MFCD00026272
- Inchi: 1S/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)
- InChI Key: LTMHEXFMSAISLN-UHFFFAOYSA-N
- SMILES: S=C(NC(C)(C)C)NC(C)(C)C
Computed Properties
- Exact Mass: 188.13500
- Monoisotopic Mass: 188.135
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 144
- 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: 2
- XLogP3: 1.9
- Topological Polar Surface Area: 56.2
Experimental Properties
- Density: 0.942
- Melting Point: 168 °C
- Boiling Point: 230.1°C at 760 mmHg
- Flash Point: 93 °C
- Refractive Index: 1.493
- PSA: 56.15000
- LogP: 2.82930
1,3-Di-tert-butylthiourea Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Category Code: R20/21/22: harmful by inhalation, skin contact and accidental swallowing.
- Safety Instruction: S22-S36/37/39
- Risk Phrases:R20/21/22
1,3-Di-tert-butylthiourea 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%
1,3-Di-tert-butylthiourea Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N95630-25g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 25g |
¥548.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N95630-5g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 5g |
¥148.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N95630-1g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 1g |
¥58.0 | 2021-09-08 | ||
| Fluorochem | 018510-1g |
1,3-Di-tert-butyl-2-thiourea |
4041-95-6 | 97% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 018510-5g |
1,3-Di-tert-butyl-2-thiourea |
4041-95-6 | 97% | 5g |
£12.00 | 2022-03-01 | |
| Fluorochem | 018510-25g |
1,3-Di-tert-butyl-2-thiourea |
4041-95-6 | 97% | 25g |
£29.00 | 2022-03-01 | |
| Fluorochem | 018510-100g |
1,3-Di-tert-butyl-2-thiourea |
4041-95-6 | 97% | 100g |
£85.00 | 2022-03-01 | |
| Chemenu | CM186372-1000g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 95% | 1000g |
$*** | 2023-05-30 | |
| Ambeed | A366042-5g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 98% | 5g |
$12.0 | 2025-02-21 | |
| Ambeed | A366042-25g |
1,3-Di-tert-butylthiourea |
4041-95-6 | 98% | 25g |
$29.0 | 2025-02-21 |
1,3-Di-tert-butylthiourea Suppliers
1,3-Di-tert-butylthiourea Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 1,3-Di-tert-butylthiourea
Comprehensive Overview of 1,3-Di-tert-butylthiourea (CAS No. 4041-95-6): Properties, Applications, and Industry Insights
1,3-Di-tert-butylthiourea (CAS 4041-95-6), a specialized thiourea derivative, has garnered significant attention in industrial and research sectors due to its unique chemical properties. This compound, characterized by its tert-butyl groups and thiocarbonyl functionality, serves as a versatile intermediate in organic synthesis and material science. With growing interest in sustainable chemistry and high-performance additives, this molecule aligns with modern demands for efficiency and environmental compatibility.
The molecular structure of 1,3-Di-tert-butylthiourea features steric hindrance from its bulky tert-butyl substituents, which influences its reactivity in catalysis and polymer stabilization. Recent studies highlight its role in rubber vulcanization accelerators, where it improves crosslinking efficiency while reducing scorch time—a critical factor for manufacturers optimizing production workflows. This aligns with the industry's focus on energy-efficient processes, a frequently searched topic in material science forums.
In pharmaceutical research, the thiourea moiety of this compound demonstrates potential as a hydrogen bond donor in drug design, particularly for targeting enzyme inhibition. While not an API itself, its structural features contribute to the development of bioactive molecules, a subject trending in medicinal chemistry discussions. Researchers often query about nitrogen-sulfur heterocycles and their applications, making this compound relevant to current explorations.
From an analytical perspective, CAS 4041-95-6 exhibits distinct spectroscopic signatures—its IR spectrum shows characteristic thiourea C=S stretching at 1100-1250 cm?1, while NMR reveals deshielded protons due to steric effects. These properties make it identifiable in quality control protocols, addressing another common search theme among analytical chemists seeking compound characterization techniques.
The compound's thermal stability (decomposition >200°C) suits applications in high-temperature polymers, coinciding with market interest in heat-resistant materials for automotive and aerospace sectors. Its low water solubility but solubility in organic solvents like dichloromethane and THF facilitates its use in non-aqueous systems, a practical consideration for formulators.
Environmental and handling aspects of 1,3-Di-tert-butylthiourea follow standard laboratory safety protocols. While not classified as hazardous under major regulatory frameworks, proper PPE usage (gloves, goggles) is recommended—addressing frequently searched chemical safety guidelines. Storage in amber glass under inert atmosphere preserves stability, a detail often queried by procurement specialists.
Market trends indicate rising demand for specialty thioureas in Asia-Pacific regions, driven by polymer industries and R&D investments. The compound's cost-performance ratio compared to analogous N,N'-dialkylthioureas makes it economically attractive, a point analyzed in recent chemical economics reports. This connects with commercial searches for alternative chemical intermediates.
Future research directions may explore its coordination chemistry with transition metals for catalytic applications, or its potential in supramolecular assemblies—both trending topics in academic literature. Patent analyses reveal incremental innovations utilizing this compound in specialty coatings, suggesting untapped potential in material sciences.
For quality assurance, suppliers typically provide HPLC purity certificates (>98%) and residual solvent analysis, addressing compliance needs in GMP environments. These specifications respond to purchaser concerns about batch-to-batch consistency, a critical factor in industrial applications.
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