4-(2-sulfanyl-1H-imidazol-1-yl)benzoic acid
Structure Info
- Chemspace ID
- CSSB00000048005 (In-Stock Building Blocks)
- CAS
- 14395-61-0
- MFCD
- MFCD26143847, MFCD11857968, MFCD11857968
- IUPAC Name
- 4-(2-sulfanyl-1H-imidazol-1-yl)benzoic acid
- Mol formula
- C10H8N2O2S
- Mol weight
- 220 Da
- Catalog Number(s)
- A1109579, AGN-PC-00NPYA, AKOS023816328, AKOS026729102, BBV-38324230, BBV-45066548, BD01073122, CSC000048005, CSC116302662, EN300-42843, FCH1681295, PB431681702, ST00B18H, TX00B0XD, Y4020664, Z431604234
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.49
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSB00000048005
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 66.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 98.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 142.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 271.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 371.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 726.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 1,074.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 1,593.00 |
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Substructure Analogs
![Chemical structure of 4-[2-(methylsulfanyl)-1H-imidazol-1-yl]benzoic acid - CSSB00000048279](/st/structure/200/cefdddc45394a65185a1a741bcc1fb7e/CSC1%253DNC%253DCN1C1%253DCC%253DC%2528C%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of methyl 4-[2-(methylsulfanyl)-1H-imidazol-1-yl]benzoate - CSSB00103399194](/st/structure/200/c7945215a0fce18bd852696c75fd6481/COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529N1C%253DCN%253DC1SC.png)
![Chemical structure of ethyl 4-[2-(methylsulfanyl)-1H-imidazol-1-yl]benzoate - CSSB02004567714](/st/structure/200/66fc77c4c07dc7e934a11fe3a8b869e3/CCOC%2528%253DO%2529C1%253DCC%253DC%2528N2C%253DCN%253DC2SC%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 4-[1'-(4-carboxyphenyl)-1H,1'H-[2,2'-biimidazol]-1-yl]benzoic acid - CSSB06726395570](/st/structure/200/da73f30e27f470eb0bfdd96e61c66a62/OC%2528%253DO%2529c1ccc%2528cc1%2529-n1ccnc1-c1nccn1-c1ccc%2528cc1%2529C%2528O%2529%253DO.png)
![Chemical structure of N-[(2-fluorophenyl)methyl]-4-(2-sulfanyl-1H-imidazol-1-yl)benzamide - CSSB00000740923](/st/structure/200/4b07febf125919968ce148345e2dea3c/FC1%253DCC%253DCC%253DC1CNC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529N1C%253DCN%253DC1S.png)
