Cas no 1347127-07-4 (3-(3-Bromothiophen-2-yl)-1h-pyrazol-5-amine)
1347127-07-4 structure
Product Name:3-(3-Bromothiophen-2-yl)-1h-pyrazol-5-amine
CAS No:1347127-07-4
MF:C7H6BrN3S
MW:244.11163854599
CID:5699290
PubChem ID:63797756
Update Time:2023-10-14
3-(3-Bromothiophen-2-yl)-1h-pyrazol-5-amine Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-BROMOTHIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE
- AKOS013109679
- 1347127-07-4
- 5-(3-bromothiophen-2-yl)-1H-pyrazol-3-amine
- EN300-1150320
- 1H-Pyrazol-3-amine, 5-(3-bromo-2-thienyl)-
- 3-(3-Bromothiophen-2-yl)-1h-pyrazol-5-amine
-
- Inchi： 1S/C7H6BrN3S/c8-4-1-2-12-7(4)5-3-6(9)11-10-5/h1-3H,(H3,9,10,11)
- InChI Key： AQNDQNYTAAOMGX-UHFFFAOYSA-N
- SMILES： BrC1C=CSC=1C1=CC(N)=NN1
Computed Properties
- Exact Mass: 242.94658g/mol
- Monoisotopic Mass: 242.94658g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 169
- 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: 1.9
- Topological Polar Surface Area: 82.9?2
Experimental Properties
- Density: 1.818±0.06 g/cm3(Predicted)
- Boiling Point: 468.5±45.0 °C(Predicted)
- pka: 13.02±0.10(Predicted)
3-(3-Bromothiophen-2-yl)-1h-pyrazol-5-amine Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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