Cas no 478395-54-9 (1H-PYRAZOLE, 1-(4-BROMOPHENYL)-5-(2-THIENYL)-)
478395-54-9 structure
Product Name:1H-PYRAZOLE, 1-(4-BROMOPHENYL)-5-(2-THIENYL)-
CAS No:478395-54-9
MF:C13H9BrN2S
MW:305.192960500717
CID:3231317
PubChem ID:56956088
Update Time:2025-04-21
1H-PYRAZOLE, 1-(4-BROMOPHENYL)-5-(2-THIENYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE, 1-(4-BROMOPHENYL)-5-(2-THIENYL)-
- 478395-54-9
- DTXSID201260433
- 1-(4-Bromophenyl)-5-(2-thienyl)-1H-pyrazole
-
- Inchi： 1S/C13H9BrN2S/c14-10-3-5-11(6-4-10)16-12(7-8-15-16)13-2-1-9-17-13/h1-9H
- InChI Key： WTRFTMVJXYMIGT-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)N1C(=CC=N1)C1=CC=CS1
Computed Properties
- Exact Mass: 303.96698Da
- Monoisotopic Mass: 303.96698Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 4
- Topological Polar Surface Area: 46.1?2
1H-PYRAZOLE, 1-(4-BROMOPHENYL)-5-(2-THIENYL)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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