Cas no 412923-50-3 (2-Bromo-6-ethylbenzothiazole)
2-Bromo-6-ethylbenzothiazole structure
Product Name:2-Bromo-6-ethylbenzothiazole
CAS No:412923-50-3
MF:C9H8BrNS
MW:242.135519981384
CID:867182
Update Time:2023-08-02
2-Bromo-6-ethylbenzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMO-6-ETHYLBENZOTHIAZOLE
- 2-Bromo-6-ethylbenzo[d]thiazole
- 2-Bromo-6-ethylbenzothiazole
-
- Inchi： 1S/C9H8BrNS/c1-2-6-3-4-7-8(5-6)12-9(10)11-7/h3-5H,2H2,1H3
- InChI Key： LLDYVENITBIJLJ-UHFFFAOYSA-N
- SMILES： BrC1=NC2=CC=C(C=C2S1)CC
Computed Properties
- Exact Mass: 240.956
- Monoisotopic Mass: 240.956
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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
- Topological Polar Surface Area: 41.1
2-Bromo-6-ethylbenzothiazole Related Literature
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1. 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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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5. 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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