Methyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
Structure Info
- Chemspace ID
- CSSB00000001036 (In-Stock Building Blocks)
- CAS
- 108960-07-2
- MFCD
- MFCD11617556, MFCD11977804, MFCD11617556
- IUPAC Name
- methyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate
- Mol formula
- C12H14O3S
- Mol weight
- 238 Da
- Catalog Number(s)
- A563120, AA01FAQW, AG01FATO, AG247667, AR01FBIO, BBLS00000001036, BBV-46998243, BD512358, CD12181584, CSC000001036, CSCR00948184874, EN300-11686462, FCH2703840, IEA96007, IMED207795471, JH55179, LN02023779, M354515, ST01FCAG, TX01FBZC, Y3483398, Z207714234, bbls00000001036, s_1458_477104_483916, s_1458____477104____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.13
- Heavy atoms count
- 16
- Rotatable bond count
- 6
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 43
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate (C12H14O3S) - CSSB00000001036](/st/structure/200/9d71f62833794500f27331e307fc5868/COC%2528%253DO%2529CCC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png "C12H14O3S")
- Zoom the structure
- CSSB00000001036
Items Overall 10 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 97 | 1 g | 652.30 | |
| 1st Scientific LLC | 14 days | United States To: | 97 | 5 g | 1,938.20 | |
Description: Methyl 4-(4-(methylthio)phenyl)-4-oxobutanoate; CAS: 108960-07-2 | ||||||
| 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 | |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of ethyl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate - CSSB00000296522](/st/structure/200/4c25969c85d5f4460d2759a2e49ad825/CCOC%2528%253DO%2529CCC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png)
![Chemical structure of ethyl 4-[4-(ethylsulfanyl)phenyl]-4-oxobutanoate - CSSB00003676475](/st/structure/200/c437fab3d49527514c485fa893315345/CCOC%2528%253DO%2529CCC%2528%253DO%2529C1%253DCC%253DC%2528SCC%2529C%253DC1.png)
![Chemical structure of ethyl 4-[4-(methylsulfanyl)phenyl]-2,4-dioxobutanoate - CSSB00000301342](/st/structure/200/b86f73e2e47f3b3f2f703362e527beed/CCOC%2528%253DO%2529C%2528%253DO%2529CC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png)
![Chemical structure of ethyl 4-[2-chloro-4-(methylsulfanyl)phenyl]-4-oxobutanoate - CSSB00020572469](/st/structure/200/dc6e25c01a09fa3522d2671f358a19ef/CCOC%2528%253DO%2529CCC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1Cl.png)
![Chemical structure of ethyl 2,2-dimethyl-4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate - CSSB00020572282](/st/structure/200/5c1e84612b71eff498cf7062e975cbd1/CCOC%2528%253DO%2529C%2528C%2529%2528C%2529CC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png)
![Chemical structure of ethyl 4-[3-fluoro-4-(methylsulfanyl)phenyl]-2,4-dioxobutanoate - CSSB21495857561](/st/structure/200/4323e99831077784b96c69945f72df69/CCOC%2528%253DO%2529C%2528%253DO%2529CC%2528%253DO%2529C1%253DCC%2528F%2529%253DC%2528SC%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of methyl 3-[4-(methylsulfanyl)phenyl]-3-oxopropanoate - CSSB00012622073](/st/structure/200/8a47cd9ef03b60dffafacd6375e0da4f/COC%2528%253DO%2529CC%2528%253DO%2529C1%253DCC%253DC%2528SC%2529C%253DC1.png)
![Chemical structure of 2,5-dioxopyrrolidin-1-yl 4-[4-(methylsulfanyl)phenyl]-4-oxobutanoate - CSSB20270393636](/st/structure/200/93396d4c1b33bc0431ce8268675caf5a/CSC1%253DCC%253DC%2528C%253DC1%2529C%2528%253DO%2529CCC%2528%253DO%2529ON1C%2528%253DO%2529CCC1%253DO.png)
