5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
Structure Info
- Chemspace ID
- CSSB00000417363 (In-Stock Building Blocks)
- CAS
- 1038304-09-4, 250714-83-1, 345988-07-0
- MFCD
- MFCD11542782, MFCD11542782
- IUPAC Name
- 5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
- Mol formula
- C15H14O2S
- Mol weight
- 258 Da
- Catalog Number(s)
- A1117150, AG01A9O8, AR01AAD8, AV58512, BB4LS-EN300-65641, BBLS00000417363, BBV-254061, BD01037351, BVV-820647998, CS-0256929, CSC000417363, D475118, EN300-65641, FCG1259551689, HY-W194213, NRB30409, PB364328254, ST01AB50, TX01AATW, Y3218726, Z364250786, bbls00000417363
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.34
- Heavy atoms count
- 18
- Rotatable bond count
- 1
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.266
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of 5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid (C15H14O2S) - CSSB00000417363](/st/structure/200/4f757c02f280175ab4d1c821c9f8248a/CC1%2528C%2529CC2%253DC%2528SC%2528%253DC2%2529C%2528O%2529%253DO%2529C2%253DCC%253DCC%253DC12.png "C15H14O2S")
- Zoom the structure
- CSSB00000417363
Items Overall 32 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 42.31 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 58.67 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 80.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 102.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 127.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 50 mg | 77.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 100 mg | 114.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 250 mg | 164.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 500 mg | 258.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 1 g | 331.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 2.5 g | 650.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 5 g | 961.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 42.31 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 58.67 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 80.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 102.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 127.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 143.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 184.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 243.10 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 352.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 436.70 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 806.30 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 5 g | 1,166.00 | |
Description: 5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid; CAS: 1038304-09-4 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 77.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 114.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 164.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 258.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 331.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 650.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 961.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 1,426.00 | |
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Substructure Analogs
![Chemical structure of 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 5,5-dimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxylate - CSSB00133015989](/st/structure/200/598078847bc18451c9c1fd107372e82f/CC1%2528C%2529CC2%253DC%2528SC%2528%253DC2%2529C%2528%253DO%2529ON2C%2528%253DO%2529C3%253DCC%253DCC%253DC3C2%253DO%2529C2%253DCC%253DCC%253DC12.png)
Similarity Analogs
![Chemical structure of N-methoxy-N,5,5-trimethyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxamide - CSSB02061793396](/st/structure/200/4cd6eb0aa14ede60d4a7d4abf19ea5be/CON%2528C%2529C%2528%253DO%2529C1%253DCC2%253DC%2528S1%2529C1%253DCC%253DCC%253DC1C%2528C%2529%2528C%2529C2.png)
![Chemical structure of 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid - CSSB00000179784](/st/structure/200/178b30fc3f53f9cdfaaa86ef9f187f20/OC%2528%253DO%2529C1%253DCC2%253DC%2528S1%2529C1%253DCC%253DCC%253DC1CC2.png)
![Chemical structure of 5,5-dioxo-4H-5λ⁶-thieno[3,2-c]thiochromene-2-carboxylic acid - CSSB06256035562](/st/structure/200/3978852ca13bf932d476a112a5181419/OC%2528%253DO%2529c1cc2CS%2528%253DO%2529%2528%253DO%2529c3ccccc3-c2s1.png)
![Chemical structure of 4H-thieno[3,2-c]thiochromene-2-carboxylic acid - CSSB00011246612](/st/structure/200/388e55f3431346e65e483d0a61fead2a/OC%2528%253DO%2529C1%253DCC2%253DC%2528S1%2529C1%253DCC%253DCC%253DC1SC2.png)
![Chemical structure of 3-thia-9-azatricyclo[8.4.0.0²,⁶]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxylic acid - CSSB00020631747](/st/structure/200/0a6dbeaaa166ff610a584bd6b48cd8fe/OC%2528%253DO%2529C1%253DCC2%253DC%2528S1%2529C1%253DCC%253DCC%253DC1NCC2.png)
![Chemical structure of 4H-thieno[3,2-c]chromene-2-carboxylic acid - CSSB00000179786](/st/structure/200/52de8a06a728b4e315576046ee84c094/OC%2528%253DO%2529C1%253DCC2%253DC%2528S1%2529C1%253DCC%253DCC%253DC1OC2.png)
