2-(benzylsulfanyl)-1-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)ethan-1-one
Structure Info
- Chemspace ID
- CSSB02061874399 (In-Stock Building Blocks)
- IUPAC Name
- 2-(benzylsulfanyl)-1-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)ethan-1-one
- Mol formula
- C18H23NOS
- Mol weight
- 301 Da
- Catalog Number(s)
- BBLS02061874399, CSC089562391, CSCR00089562391, EN300-54773383, PV-001915632509, bbls02061874399, s_62____80828____81517
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.35
- Heavy atoms count
- 21
- Rotatable bond count
- 7
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.388
- Polar surface area (Å)
- 22
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB02061874399
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 | 455.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 477.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 498.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 519.00 | |
| 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 2-(benzylsulfanyl)-1-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]ethan-1-one - CSSB21332076671](/st/structure/200/f4dab90aedeb8eee2f4ef435be26dfec/CC%2528C%2529CCN1C%2528C%2529%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC1C.png)
![Chemical structure of 2-(benzylsulfanyl)-1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one - CSSB00207282535](/st/structure/200/4ce17adf4ea8d2c9405a531984340b32/COCCCN1C%2528C%2529%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC1C.png)
![Chemical structure of 2-(benzylsulfanyl)-1-{2,5-dimethyl-1-[2-(thiophen-2-yl)ethyl]-1H-pyrrol-3-yl}ethan-1-one - CSSB21332090609](/st/structure/200/757ba3c614a73172320f41b43f8697e5/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CCC1%253DCC%253DCS1.png)
![Chemical structure of 2-(benzylsulfanyl)-1-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one - CSSB21332045158](/st/structure/200/98eac00ebcdd48147c1623692fd5d0cf/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CCC1%253DCCCCC1.png)
![Chemical structure of 2-(benzylsulfanyl)-1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]ethan-1-one - CSSB21332071051](/st/structure/200/5801ebeeb361995b591c9a107f20337b/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CCC1%253DCC%253DCC%253DC1.png)
![Chemical structure of 2-(benzylsulfanyl)-1-{1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one - CSSB21332087994](/st/structure/200/0b89ad6a207e776d3ea3d10a4a06dbd5/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CCC1%253DCC%253DC%2528F%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 2-(benzylsulfanyl)-1-[2,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrrol-3-yl]ethan-1-one - CSSB00104398342](/st/structure/200/80f5bbd93dc12719cdd0767d4056e654/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CC%253DC.png)
![Chemical structure of 2-(benzylsulfanyl)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]ethan-1-one - CSSB00222232700](/st/structure/200/e44376dcf9f506d65dac236ed4ef1df4/CC1%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC%2528C%2529N1CC%2528F%2529%2528F%2529F.png)
![Chemical structure of 2-(benzylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one - CSSB02105190513](/st/structure/200/a21c8e76e048ea0f092ab9db6aaf88b3/COCCN1C%2528C%2529%253DCC%2528C%2528%253DO%2529CSCC2%253DCC%253DCC%253DC2%2529%253DC1C.png)
