Cas no 40771-41-3 (5-Chloropyridine-2(1H)-thione)
5-Chloropyridine-2(1H)-thione Chemical and Physical Properties
Names and Identifiers
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- 5-Chloropyridine-2-thiol
- 3-Chloro-6-mercaptopyridine
- 5-chloro-1H-pyridine-2-thione
- 5-Chloro-2-pyridinethiol
- 2-mercapto-5-chloro-pyridine
- 5-Chloro-2-mercaptopyridine
- 5-chloropyridin-2-thiol
- 5-Chlor-pyridin-2-thiol
- FNXPASNYGUMVGZ-UHFFFAOYSA-N
- AKOS000145571
- AMY6289
- AKOS024462585
- J-517411
- 5-Chloropyridine-2-thiol, 95%
- CB-0702
- SCHEMBL421803
- 40771-41-3
- FT-0680886
- DTXSID90397198
- MFCD00661468
- CS-0156766
- 2(1H)-Pyridinethione, 5-chloro-
- EN300-31463
- Z271138142
- SB52343
- 5-Chloropyridine-2(1H)-thione
- DB-082015
- AJ-333/25006271
- 5-chloropyridin-2-yl hydrosulfide
-
- MDL: MFCD00661468
- Inchi: 1S/C5H4ClNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
- InChI Key: FNXPASNYGUMVGZ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(NC=1)=S
Computed Properties
- Exact Mass: 144.97500
- Monoisotopic Mass: 144.975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 171
- 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
- Topological Polar Surface Area: 44.1A^2
- XLogP3: 1.2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.4
- Melting Point: 187-192?°C
- Boiling Point: 183.5°Cat760mmHg
- Flash Point: 64.8°C
- Refractive Index: 1.615
- PSA: 51.69000
- LogP: 2.02370
- Vapor Pressure: 0.1±0.4 mmHg at 25°C
5-Chloropyridine-2(1H)-thione Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H302-H315-H318-H335
- Warning Statement: P280-P301+P312+P330-P304+P340+P312-P305+P351+P338+P310
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-37/38-41
- Safety Instruction: 26-36
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:2-8°C
5-Chloropyridine-2(1H)-thione Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Chloropyridine-2(1H)-thione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029195750-1g |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 95% | 1g |
$155.53 | 2023-09-02 | |
| Alichem | A029195750-5g |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 95% | 5g |
$462.06 | 2023-09-02 | |
| Alichem | A029195750-10g |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 95% | 10g |
$712.95 | 2023-09-02 | |
| Fluorochem | 050298-1g |
5-Chloro-2-pyridinethiol |
40771-41-3 | 95% | 1g |
£75.00 | 2022-03-01 | |
| Fluorochem | 050298-5g |
5-Chloro-2-pyridinethiol |
40771-41-3 | 95% | 5g |
£260.00 | 2022-03-01 | |
| TRC | C596428-100mg |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 100mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C596428-500mg |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 500mg |
$ 135.00 | 2022-06-06 | ||
| TRC | C596428-1g |
5-Chloropyridine-2(1H)-thione |
40771-41-3 | 1g |
$ 230.00 | 2022-06-06 | ||
| Matrix Scientific | 046549-1g |
5-Chloro-2-pyridinethiol, >95% |
40771-41-3 | >95% | 1g |
$125.00 | 2023-09-08 | |
| Matrix Scientific | 046549-5g |
5-Chloro-2-pyridinethiol, >95% |
40771-41-3 | >95% | 5g |
$405.00 | 2023-09-08 |
5-Chloropyridine-2(1H)-thione Related Literature
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Guang-Ning Liu,Rang-Dong Xu,Ming-Kun Li,Yiqiang Sun,Meng-Jie Zhou,Rui-Yun Cai,Zuo-Jiang You,Xiao-Ming Jiang,Cuncheng Li Chem. Commun. 2022 58 2858
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2. A halogen bonding assembled hybrid copper halide framework as a promising hypotoxicity photodetectorGuang-Ning Liu,Ming-Kun Li,Rang-Dong Xu,Ning-Ning Zhang,Xin-Jiao Quan,Bing-Jing Qian,Yi-Han Lu,Cuncheng Li Inorg. Chem. Front. 2022 9 6510
Additional information on 5-Chloropyridine-2(1H)-thione
Comprehensive Guide to 5-Chloropyridine-2(1H)-thione (CAS No. 40771-41-3): Properties, Applications, and Research Insights
5-Chloropyridine-2(1H)-thione (CAS No. 40771-41-3) is a heterocyclic compound with significant relevance in pharmaceutical and agrochemical research. This sulfur-containing derivative of pyridine has garnered attention due to its unique structural features and versatile reactivity. The compound's molecular formula (C5H4ClNS) and thione functional group make it a valuable intermediate in organic synthesis, particularly in the development of bioactive molecules and specialty chemicals.
Recent studies highlight the growing interest in 5-Chloropyridine-2(1H)-thione for its potential applications in drug discovery. Researchers are exploring its role as a building block for antimicrobial agents and enzyme inhibitors, aligning with the global demand for novel therapeutic compounds. The compound's chloro-substituted pyridine core enhances its electrophilic character, enabling diverse cross-coupling reactions—a topic frequently searched in organic chemistry forums and AI-driven synthesis platforms.
From an industrial perspective, CAS No. 40771-41-3 is utilized in the synthesis of crop protection chemicals, addressing the agricultural sector's need for sustainable pest control solutions. Its compatibility with green chemistry principles (e.g., atom economy and reduced waste) resonates with current trends in eco-friendly synthesis. Analytical techniques like HPLC and NMR spectroscopy are commonly employed to characterize this compound, as evidenced by its spectral data frequently queried in scientific databases.
The stability of 5-Chloropyridine-2(1H)-thione under varying pH conditions makes it suitable for material science applications, including the design of functional polymers. Questions about its solubility in polar solvents (e.g., DMSO or methanol) and storage recommendations (typically under inert atmospheres) are recurring topics in chemical supplier FAQs. Additionally, its tautomeric equilibrium between thione and thiol forms is a subject of theoretical studies, often discussed in computational chemistry circles.
Innovations in catalytic methodologies have further expanded the utility of this compound. For instance, its use in palladium-catalyzed reactions aligns with the pharmaceutical industry's focus on efficient synthetic routes. Safety data sheets emphasize standard laboratory precautions, though its classification remains compliant with international chemical regulations. As interest grows in heterocyclic chemistry, CAS 40771-41-3 continues to be a benchmark for studying structure-activity relationships in medicinal chemistry.
In summary, 5-Chloropyridine-2(1H)-thione exemplifies the intersection of fundamental research and applied science. Its multifaceted applications—from small-molecule drugs to advanced materials—reflect broader trends in precision chemistry. Future research may explore its nanoscale interactions or bioconjugation potential, areas gaining traction in high-impact journals and grant-funded projects.
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