Cas no 227809-78-1 (5-Benzothiazoleethanol)
5-Benzothiazoleethanol structure
Product Name:5-Benzothiazoleethanol
CAS No:227809-78-1
MF:C9H9NOS
MW:179.238860845566
CID:245016
PubChem ID:45077116
Update Time:2025-04-19
5-Benzothiazoleethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzothiazoleethanol
- 5-Benzothiazoleethanol(9CI)
- 2-(1,3-Benzothiazol-5-yl)ethan-1-ol
- 227809-78-1
- DTXSID20663257
-
- Inchi： 1S/C9H9NOS/c11-4-3-7-1-2-9-8(5-7)10-6-12-9/h1-2,5-6,11H,3-4H2
- InChI Key： QKAPRCYTMBEGAY-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C=CC(=C2)CCO
Computed Properties
- Exact Mass: 179.04057
- Monoisotopic Mass: 179.04048508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 154
- 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: 1.6
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 33.12
5-Benzothiazoleethanol Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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