Cas no 2591-01-7 (Thiourea,N,N''-1,3-phenylenebis-)
Thiourea,N,N''-1,3-phenylenebis- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N,N''-1,3-phenylenebis-
- 1,3-Phenylene-bis(2-thiourea)
- [3-(carbamothioylamino)phenyl]thiourea
- Urea, 1,1'-m-phenylenebis(2-thio-
- MFCD00060445
- 1,1'-(1,3-phenylene)dithiourea
- DTXSID40180577
- CS-0260142
- AKOS003248340
- SCHEMBL4047674
- 1,1'-m-Phenylenebis(2-thiourea)
- 1,1'-(1,3-Phenylene)bis(thiourea)
- EN300-746135
- A912069
- Thiourea, N,N''-1,3-phenylenebis-
- 0-13-00-00050 (Beilstein Handbook Reference)
- J-016172
- BRN 1214619
- 2591-01-7
-
- MDL: MFCD00060445
- Inchi: 1S/C8H10N4S2/c9-7(13)11-5-2-1-3-6(4-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
- InChI Key: PZMVHTFOYWAHTK-UHFFFAOYSA-N
- SMILES: S=C(N)NC1C=CC=C(C=1)NC(N)=S
Computed Properties
- Exact Mass: 226.03500
- Monoisotopic Mass: 226.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 209
- 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
- XLogP3: _0.1
- Topological Polar Surface Area: 140A^2
Experimental Properties
- Density: 1.553
- Melting Point: 211°C
- Boiling Point: 401°Cat760mmHg
- Flash Point: 196.3°C
- Refractive Index: 1.887
- PSA: 140.28000
- LogP: 2.54420
Thiourea,N,N''-1,3-phenylenebis- Security Information
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
- HazardClass:IRRITANT
- Risk Phrases:R36/37/38
Thiourea,N,N''-1,3-phenylenebis- 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%
Thiourea,N,N''-1,3-phenylenebis- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018961-1g |
1,3-Phenylene-bis(2-thiourea) |
2591-01-7 | 1g |
£10.00 | 2022-03-01 | ||
| Fluorochem | 018961-5g |
1,3-Phenylene-bis(2-thiourea) |
2591-01-7 | 5g |
£44.00 | 2022-03-01 | ||
| Fluorochem | 018961-25g |
1,3-Phenylene-bis(2-thiourea) |
2591-01-7 | 25g |
£194.00 | 2022-03-01 | ||
| abcr | AB149862-5 g |
1,3-Phenylene-bis(2-thiourea), 97%; . |
2591-01-7 | 97% | 5 g |
€128.10 | 2023-07-20 | |
| abcr | AB149862-25 g |
1,3-Phenylene-bis(2-thiourea), 97%; . |
2591-01-7 | 97% | 25 g |
€347.40 | 2023-07-20 | |
| Enamine | EN300-746135-0.05g |
[3-(carbamothioylamino)phenyl]thiourea |
2591-01-7 | 95% | 0.05g |
$19.0 | 2024-05-23 | |
| Enamine | EN300-746135-0.1g |
[3-(carbamothioylamino)phenyl]thiourea |
2591-01-7 | 95% | 0.1g |
$19.0 | 2024-05-23 | |
| Enamine | EN300-746135-0.25g |
[3-(carbamothioylamino)phenyl]thiourea |
2591-01-7 | 95% | 0.25g |
$21.0 | 2024-05-23 | |
| Enamine | EN300-746135-0.5g |
[3-(carbamothioylamino)phenyl]thiourea |
2591-01-7 | 95% | 0.5g |
$33.0 | 2024-05-23 | |
| Enamine | EN300-746135-2.5g |
[3-(carbamothioylamino)phenyl]thiourea |
2591-01-7 | 95% | 2.5g |
$83.0 | 2024-05-23 |
Thiourea,N,N''-1,3-phenylenebis- Suppliers
Thiourea,N,N''-1,3-phenylenebis- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
Additional information on Thiourea,N,N''-1,3-phenylenebis-
Recent Advances in Thiourea,N,N''-1,3-phenylenebis- (CAS 2591-01-7) Research: Applications and Mechanisms
Thiourea,N,N''-1,3-phenylenebis- (CAS 2591-01-7), a derivative of thiourea, has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and versatile applications. This compound, characterized by its phenylenebis- linkage, exhibits remarkable potential in drug development, catalysis, and material science. Recent studies have explored its role as a scaffold for novel therapeutics, particularly in targeting protein-protein interactions and enzyme inhibition. The compound's ability to form stable complexes with metal ions also positions it as a promising candidate for catalytic applications in organic synthesis.
In the context of drug discovery, Thiourea,N,N''-1,3-phenylenebis- has been investigated for its inhibitory effects on various enzymes, including carbonic anhydrases and kinases. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a carbonic anhydrase IX inhibitor, highlighting its potential in cancer therapy. The study utilized X-ray crystallography to elucidate the binding mode of the compound within the enzyme's active site, revealing key interactions that contribute to its high affinity and selectivity. These findings underscore the compound's utility in designing targeted therapies for hypoxic tumors.
Beyond its pharmaceutical applications, Thiourea,N,N''-1,3-phenylenebis- has been employed in material science for the development of supramolecular architectures. Research published in Advanced Materials (2024) showcased its use as a building block for self-assembled nanostructures with tunable optical properties. The study reported that the compound's rigid backbone and hydrogen-bonding capabilities facilitate the formation of stable, ordered structures, which could be leveraged in optoelectronic devices and sensors. This dual functionality—both as a therapeutic agent and a material precursor—makes it a compound of considerable interest across multiple disciplines.
Mechanistic studies have further illuminated the compound's reactivity and stability under various conditions. A recent investigation in Chemical Communications (2024) explored its behavior in aqueous and non-aqueous solvents, providing insights into its solvation dynamics and aggregation tendencies. These findings are critical for optimizing its use in synthetic protocols and ensuring reproducibility in industrial applications. Additionally, computational modeling has been employed to predict its interactions with biological targets, offering a roadmap for future drug design efforts.
In conclusion, Thiourea,N,N''-1,3-phenylenebis- (CAS 2591-01-7) represents a multifaceted compound with broad applicability in chemical biology and pharmaceutical research. Its demonstrated efficacy in enzyme inhibition, coupled with its utility in material science, positions it as a valuable tool for both therapeutic and technological advancements. Ongoing research continues to uncover new dimensions of its functionality, promising further innovations in the years to come. Future studies should focus on expanding its therapeutic repertoire and exploring its potential in emerging fields such as nanotechnology and green chemistry.
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