Methyl 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate
Structure Info
- Chemspace ID
- CSSB00025858062 (In-Stock Building Blocks)
- CAS
- 566145-93-5
- IUPAC Name
- methyl 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate
- Mol formula
- C17H15ClN2O2S
- Mol weight
- 347 Da
- Catalog Number(s)
- AE-848/36959500, BBLS00025858062, BBV-104813052, CSC025858062, CSCR00226305426, EN300-37560974, FCH7472845, PB15809064, Z15731596, bbls00025858062, m7____8384____5060, m7____8384____5534970, s_1458____470946____483916
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.44
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.176
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate (C17H15ClN2O2S) - CSSB00025858062](/st/structure/200/d6f43dee8ec4806889592042d28727cd/COC%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png "C17H15ClN2O2S")
- Zoom the structure
- CSSB00025858062
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 103.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 156.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 222.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 422.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 541.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,063.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,572.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,331.00 |
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Substructure Analogs
![Chemical structure of ethyl 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate - CSSB00105848071](/st/structure/200/8f9b13d0f07e758cf9545e2d8047721d/CCOC%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
Similarity Analogs
![Chemical structure of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N,N-dimethylacetamide - CSSB00105824843](/st/structure/200/11967f8ff98cde1452bffb1cf128a897/CN%2528C%2529C%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
![Chemical structure of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid - CSSB00000179506](/st/structure/200/804e0ab6fbcd479224085bb43377c4fa/OC%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
![Chemical structure of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide - CSSB00025858059](/st/structure/200/45f5e91abc5b07bb2d2cf7552776ac2b/NC%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
![Chemical structure of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methoxy-N-methylacetamide - CSSB00416961984](/st/structure/200/e194dccc0557bf6747f6bdfbeae5a21f/CON%2528C%2529C%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
![Chemical structure of 2-[(1-benzyl-5-chloro-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methylacetamide - CSSB00025858016](/st/structure/200/8541ebe9caafa9da01ac944141be9713/CNC%2528%253DO%2529CSC1%253DNC2%253DCC%2528Cl%2529%253DCC%253DC2N1CC1%253DCC%253DCC%253DC1.png)
