Methyl 4-{[(thiophen-3-yl)methyl]amino}benzoate
Structure Info
- Chemspace ID
- CSSB00000676945 (In-Stock Building Blocks)
- CAS
- 1094446-35-1
- MFCD
- MFCD11178790, MFCD11178790
- IUPAC Name
- methyl 4-{[(thiophen-3-yl)methyl]amino}benzoate
- Mol formula
- C13H13NO2S
- Mol weight
- 247 Da
- Catalog Number(s)
- AR02A3J1, BBV-2075719, CS-0347276, CSC000676945, CSCR00010834295, EC02A4ZT, EN300-6510375, FCH15427944, HY-W302433, ST02A4AT, TX02A3ZP, Y3530479, Z1824061107, s_1458_12360222_483916, s_1458____12360222____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.95
- Heavy atoms count
- 17
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.153
- Polar surface area (Å)
- 38
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of Methyl 4-{[(thiophen-3-yl)methyl]amino}benzoate (C13H13NO2S) - CSSB00000676945](/st/structure/200/6e01e5e9dc8148686ccbdba646dcf9d8/COC%2528%253DO%2529C1%253DCC%253DC%2528NCC2%253DCSC%253DC2%2529C%253DC1.png "C13H13NO2S")
- Zoom the structure
- CSSB00000676945
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Accel Scientific, S.L. | 20 days | China To: | 95 | 100 mg | 584.10 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 250 mg | 768.90 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 1 g | 1,505.90 | |
Description: methyl 4-{[(thiophen-3-yl)methyl]amino}benzoate; CAS: 1094446-35-1 | ||||||
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Substructure Analogs
![Chemical structure of ethyl 4-{[(thiophen-3-yl)methyl]amino}benzoate - CSSB00000421892](/st/structure/200/6cee8a49540dd0f02b164903b8b99b4d/CCOC%2528%253DO%2529C1%253DCC%253DC%2528NCC2%253DCSC%253DC2%2529C%253DC1.png)
![Chemical structure of methyl 2-methoxy-4-{[(thiophen-3-yl)methyl]amino}benzoate - CSSB02016379509](/st/structure/200/c309d216e510806681b0aae4d1a0d62d/COC%2528%253DO%2529C1%253DCC%253DC%2528NCC2%253DCSC%253DC2%2529C%253DC1OC.png)
![Chemical structure of tert-butyl 4-{[(thiophen-3-yl)methyl]amino}benzoate - CSSB01419063100](/st/structure/200/6948a15dfa8fe47bfdba00bdffae6596/CC%2528C%2529%2528C%2529OC%2528%253DO%2529C1%253DCC%253DC%2528NCC2%253DCSC%253DC2%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of methyl 4-[3-(thiophen-3-yl)propanamido]benzoate - CSSB00026807860](/st/structure/200/4147cc4cc637e04bac83ce3ad172fef2/COC%2528%253DO%2529C1%253DCC%253DC%2528NC%2528%253DO%2529CCC2%253DCSC%253DC2%2529C%253DC1.png)
![Chemical structure of methyl 4-{[(5-methylthiophen-2-yl)methyl]amino}benzoate - CSSB00000421847](/st/structure/200/b024d49edd65387ed3dc5ba59db8e01b/COC%2528%253DO%2529C1%253DCC%253DC%2528NCC2%253DCC%253DC%2528C%2529S2%2529C%253DC1.png)
![Chemical structure of methyl 4-[(2-methoxy-2-oxoethyl)amino]benzoate - CSSB00000020571](/st/structure/200/6f75af9f17cd352025ffd2ed4a72dcab/COC%2528%253DO%2529CNC1%253DCC%253DC%2528C%253DC1%2529C%2528%253DO%2529OC.png)
