- From High-Throughput Screening to Target Validation: Benzo[d]isothiazoles as Potent and Selective Agonists of Human Transient Receptor Potential Cation Channel Subfamily M Member 5 Possessing In Vivo Gastrointestinal Prokinetic Activity in RodentsBarilli, Alessio ; Aldegheri, Laura; Bianchi, Federica; Brault, Laurent; Brodbeck, Daniela; et al, Journal of Medicinal Chemistry, 2021, 64(9), 5931-5955
Cas no 97050-36-7 (1,2-benzothiazol-6-amine)
1,2-benzothiazol-6-amine is a versatile organic compound known for its synthetic versatility and chemical stability. This compound is widely utilized in the pharmaceutical industry for synthesizing various drugs. Its key advantages include its high purity, excellent solubility in organic solvents, and ability to undergo various chemical transformations, making it a valuable intermediate in drug development.
1,2-benzothiazol-6-amine structure
Product Name:1,2-benzothiazol-6-amine
CAS No:97050-36-7
MF:C7H6N2S
MW:150.200939655304
MDL:MFCD18804902
CID:800763
PubChem ID:18373420
Update Time:2025-06-20
1,2-benzothiazol-6-amine Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-6-amine(9CI)
- 1,2-benzothiazol-6-amine
- Benzo[d]isothiazol-6-amine
- 6-aminobenzoisothiazole
- 1,2-BENZISOTHIAZOL-6-AMINE
- FCH2493596
- SY129143
- AX8310680
- CS-0181024
- AC7467
- DTXSID90593214
- 97050-36-7
- AS-58748
- SCHEMBL3709276
- EN300-221910
- AKOS022904258
- MFCD18804902
- XDA05036
-
- MDL： MFCD18804902
- Inchi： 1S/C7H6N2S/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2
- InChI Key： SFJKMYTWPTTZOS-UHFFFAOYSA-N
- SMILES： N1=CC2C(=CC(=CC=2)N)S1
Computed Properties
- Exact Mass: 150.02516937g/mol
- Monoisotopic Mass: 150.02516937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 129
- 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: 1.6
- Topological Polar Surface Area: 67.2
1,2-benzothiazol-6-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A059005321-1g |
Benzo[d]isothiazol-6-amine |
97050-36-7 | 96% | 1g |
$2363.76 | 2023-08-31 | |
| Alichem | A059005321-5g |
Benzo[d]isothiazol-6-amine |
97050-36-7 | 96% | 5g |
$6452.10 | 2023-08-31 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y11825-250mg |
Benzo[d]isothiazol-6-amine |
97050-36-7 | 95% | 250mg |
￥5929.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y11825-1g |
Benzo[d]isothiazol-6-amine |
97050-36-7 | 95% | 1g |
￥13359.0 | 2024-07-18 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY129143-0.1g |
6-Aminobenzoisothiazole |
97050-36-7 | ≥95% | 0.1g |
￥2700.00 | 2025-04-11 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY129143-0.25g |
6-Aminobenzoisothiazole |
97050-36-7 | ≥95% | 0.25g |
￥3950.00 | 2025-04-11 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY129143-1g |
6-Aminobenzoisothiazole |
97050-36-7 | ≥95% | 1g |
￥8900.00 | 2025-04-11 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTY614-100mg |
1,2-benzothiazol-6-amine |
97050-36-7 | 95% | 100mg |
￥2945.0 | 2024-04-15 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTY614-250mg |
1,2-benzothiazol-6-amine |
97050-36-7 | 95% | 250mg |
￥4306.0 | 2024-04-15 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTY614-1g |
1,2-benzothiazol-6-amine |
97050-36-7 | 95% | 1g |
￥9706.0 | 2024-04-15 |
1,2-benzothiazol-6-amine Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: L-Proline , Copper oxide (Cu2O) , Sodium azide Solvents: Dimethyl sulfoxide ; 1 - 16 h, 100 °C; 100 °C → rt
1.2 Reagents: Ammonium chloride Solvents: Water ; 1 h, rt
1.2 Reagents: Ammonium chloride Solvents: Water ; 1 h, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran , Water ; overnight, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; neutralized, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; neutralized, rt
Reference
- Small-molecule sulfur-containing heterocyclic compound, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
Reference
- Small-molecule sulfur-containing heterocyclic compound, China, , ,
1,2-benzothiazol-6-amine Raw materials
1,2-benzothiazol-6-amine Preparation Products
1,2-benzothiazol-6-amine Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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