5-[4-(methylsulfanyl)phenyl]thiophene-2-carbonitrile
Structure Info
- Chemspace ID
- CSSB00010002890 (In-Stock Building Blocks)
- MFCD
- MFCD01860777
- IUPAC Name
- 5-[4-(methylsulfanyl)phenyl]thiophene-2-carbonitrile
- Mol formula
- C12H9NS2
- Mol weight
- 231 Da
- Catalog Number(s)
- A198240, AG02HND4, AR02HO24, ArZ-UP517493, BBV-45116141, CSC010002890, CSC1415722387, CSCR01415722387, EC02HPIW, FCH1691629, PBMR1705135, PV-003211179995, ST02HOTW, TX02HOIS, ZX-RC055618, a6_21978_8698, s_271570_9176186_24878814, s_271570____9176186____24878814
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.01
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.083
- Polar surface area (Å)
- 24
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
![Chemical structure of 5-[4-(methylsulfanyl)phenyl]thiophene-2-carbonitrile (C12H9NS2) - CSSB00010002890](/st/structure/200/697f96cb7956a134c7b7bee49ffe50c6/CSC1%253DCC%253DC%2528C%253DC1%2529C1%253DCC%253DC%2528S1%2529C%2523N.png "C12H9NS2")
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- CSSB00010002890
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: 2-Thiophenecarbonitrile, 5-[4-(methylthio)phenyl]-; CAS: 284493-80-7 | ||||||
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Substructure Analogs
![Chemical structure of 5-[4-(ethylsulfanyl)phenyl]thiophene-2-carbonitrile - CSSB06590365195](/st/structure/200/f6f58a58956fbb243aaa53cad42f2db8/CCSC1%253DCC%253DC%2528C2%253DCC%253DC%2528C%2523N%2529S2%2529C%253DC1.png)
Similarity Analogs
![Chemical structure of 5'-(4-cyanophenyl)-[2,2'-bithiophene]-5-carbonitrile - CSSB06581410042](/st/structure/200/262c56b1dde72c428cffbebe1b620346/N%2523CC1%253DCC%253DC%2528C2%253DCC%253DC%2528C3%253DCC%253DC%2528C%2523N%2529S3%2529S2%2529C%253DC1.png)
