Cas no 474707-59-0 (methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate)
474707-59-0 structure
Product Name:methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate
CAS No:474707-59-0
MF:C9H8N2O2S
MW:208.237020492554
CID:2645264
PubChem ID:22031034
Update Time:2025-04-21
methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL3851566
- DB-123585
- 474707-59-0
- methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate
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- Inchi: 1S/C9H8N2O2S/c1-13-9(12)8-3-2-7(14-8)6-4-5-10-11-6/h2-5H,1H3,(H,10,11)
- InChI Key: FUEGCOHVINCFBO-UHFFFAOYSA-N
- SMILES: S1C(C(=O)OC)=CC=C1C1=CC=NN1
Computed Properties
- Exact Mass: 208.03064868Da
- Monoisotopic Mass: 208.03064868Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 1.8
- Topological Polar Surface Area: 83.2?2
methyl 5-(1H-pyrazol-5-yl)thiophene-2-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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