Cas no 633303-87-4 (1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)-)
![1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)- structure](https://ossimg.kuujia.com/scimg/633500/633303-87-4x500.png)
633303-87-4 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)-
CAS No:633303-87-4
MF:C13H10N2S
MW:226.296901226044
CID:426772
PubChem ID:22028188
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)-
- 3-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridine
- 633303-87-4
- OCUSABBKPFOIKN-UHFFFAOYSA-N
- 3-(Phenylthio)-1H-pyrrolo[2,3-b]pyridine
- SCHEMBL858484
- DTXSID20621756
- 3-(Phenylsulfanyl)-1H-pyrrolo[2,3-b]pyridine
-
- Inchi： 1S/C13H10N2S/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9H,(H,14,15)
- InChI Key： OCUSABBKPFOIKN-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1=CNC2C1=CC=CN=2
Computed Properties
- Exact Mass: 226.0566
- Monoisotopic Mass: 226.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 28.68
1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
633303-87-4 (1H-Pyrrolo[2,3-b]pyridine, 3-(phenylthio)-) Related Products
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