2-(1,3-benzothiazol-2-yl)propanenitrile
Structure Info
- Chemspace ID
- CSSB00041358566 (In-Stock Building Blocks)
- CAS
- 2111159-40-9
- MFCD
- MFCD33031489, MFCD33031489
- IUPAC Name
- 2-(1,3-benzothiazol-2-yl)propanenitrile
- Mol formula
- C10H8N2S
- Mol weight
- 188 Da
- Catalog Number(s)
- AG02882T, AR0288RT, BBV-95067409, BD01830350, BL42749, CSC041358566, EN300-1770693, FCH6126280, IMED2732710094, ST0289JL, SY403329, TX02898H, Y3235119
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.73
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00041358566
Items Overall 20 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 293.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 437.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 623.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 980.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,256.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 50 mg | 293.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 100 mg | 437.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 250 mg | 623.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 293.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 437.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 623.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 980.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,256.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 2,464.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 392.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 558.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 774.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 1,188.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 1,508.10 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 2,906.20 | |
Description: 2-(1,3-benzothiazol-2-yl)propanenitrile; CAS: 2111159-40-9 | ||||||
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Substructure Analogs
![Chemical structure of 2-(1,3-benzothiazol-2-yl)-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile - CSSB00020668294](/st/structure/200/e7674ef81a0c9a9a75e80e5b47e22022/N%2523CC%2528C1%253DNC2%253DCC%253DCC%253DC2S1%2529C1%253DCC%253DNC%2528NCCC2%253DCC%253DCN%253DC2%2529%253DN1.png)
![Chemical structure of 2-(1,3-benzothiazol-2-yl)-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile; bis(trifluoroacetic acid) - CSSB03436517506](/st/structure/200/1ff0b04dfa40643dfe479b812a6225b9/OC%2528%253DO%2529C%2528F%2529%2528F%2529F.OC%2528%253DO%2529C%2528F%2529%2528F%2529F.N%2523CC%2528C1%253DNC2%253DCC%253DCC%253DC2S1%2529C1%253DCC%253DNC%2528NCCC2%253DCC%253DCN%253DC2%2529%253DN1.png)
Similarity Analogs
amine - CSSB00000199013](/st/structure/200/e976a0c45efbd4c636f2f22dc038d88a/CNC%2528C%2529C1%253DNC2%253DCC%253DCC%253DC2S1.png)
