Cas no 486997-72-2 (3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole)
3-Chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole is a heterocyclic sulfinyl compound featuring a 1,2,4-thiadiazole core substituted with a chloro group at the 3-position and a 2-fluorobenzylsulfinyl moiety at the 5-position. This structure imparts unique reactivity and potential utility in medicinal chemistry and agrochemical applications. The presence of the sulfinyl group enhances electrophilicity, making it a versatile intermediate for further functionalization. The fluorine substituent on the benzyl ring may influence metabolic stability and binding affinity in bioactive molecules. Its well-defined synthesis route allows for high purity and reproducibility, supporting its use in research and development. This compound is particularly valuable for exploring structure-activity relationships in sulfur-containing heterocycles.
486997-72-2 structure
Product Name:3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole
CAS No:486997-72-2
MF:C9H6ClFN2OS2
MW:276.738141536713
CID:932047
PubChem ID:2761344
Update Time:2025-10-29
3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole
- 3-CHLORO-5-(2-FLUOROBENZYLSULFINYL)-1,2,4-
- 3-chloro-5-[(2-fluorophenyl)methylsulfinyl]-1,2,4-thiadiazole
- AC1MC4QM
- AG-F-64591
- AGN-PC-00HZ3Q
- CTK4J0938
- A923651
- 3-Chloro-5-((2-fluorobenzyl)sulfinyl)-1,2,4-thiadiazole
- DTXSID30375718
- 3-Chloro-5-[(2-Fluorobenzyl)Sulfinyl]-1,2,4-Thiadiazole
- MFCD03068916
- 486997-72-2
-
- MDL： MFCD03068916
- Inchi： 1S/C9H6ClFN2OS2/c10-8-12-9(15-13-8)16(14)5-6-3-1-2-4-7(6)11/h1-4H,5H2
- InChI Key： HTIXJYLBQLEPDN-UHFFFAOYSA-N
- SMILES： ClC1=NSC(=N1)S(CC1C=CC=CC=1F)=O
Computed Properties
- Exact Mass: 275.95900
- Monoisotopic Mass: 275.9594110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- PSA: 90.30000
- LogP: 3.50410
3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole Security Information
- Storage Condition：(BD85891)
3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM520912-1g |
3-Chloro-5-((2-fluorobenzyl)sulfinyl)-1,2,4-thiadiazole |
486997-72-2 | 97% | 1g |
$*** | 2023-05-30 |
3-chloro-5-(2-fluorobenzylsulfinyl)-1,2,4-thiadiazole Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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