Cas no 76007-14-2 (6-Benzothiazolamine,N-ethyl-)
6-Benzothiazolamine,N-ethyl- structure
Product Name:6-Benzothiazolamine,N-ethyl-
CAS No:76007-14-2
MF:C9H10N2S
MW:178.254100322723
CID:560834
PubChem ID:12675902
Update Time:2025-04-19
6-Benzothiazolamine,N-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolamine,N-ethyl-
- 6-Ethylaminobenzothiazole
- 6-Benzothiazolamine,N-ethyl-(9CI)
- N-ethyl-1,3-benzothiazol-6-amine
- DTXSID20506514
- SCHEMBL12256522
- 76007-14-2
- AKOS026737787
-
- Inchi： 1S/C9H10N2S/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-6,10H,2H2,1H3
- InChI Key： ICHPICWHSIJANA-UHFFFAOYSA-N
- SMILES： S1C=NC2=CC=C(C=C12)NCC
Computed Properties
- Exact Mass: 178.0566
- Monoisotopic Mass: 178.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 152
- 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: 2.4
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 24.92
6-Benzothiazolamine,N-ethyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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