Cas no 78584-07-3 (2-Benzothiazolamine,4-(2-methoxyethoxy)-(9CI))
78584-07-3 structure
Product Name:2-Benzothiazolamine,4-(2-methoxyethoxy)-(9CI)
CAS No:78584-07-3
MF:C10H12N2O2S
MW:224.279480934143
CID:553359
Update Time:2023-03-29
2-Benzothiazolamine,4-(2-methoxyethoxy)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Benzothiazolamine,4-(2-methoxyethoxy)-
- 2-Benzothiazolamine,4-(2-methoxyethoxy)-(9CI)
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- Inchi： 1S/C10H12N2O2S/c1-13-5-6-14-7-3-2-4-8-9(7)12-10(11)15-8/h2-4H,5-6H2,1H3,(H2,11,12)
- InChI Key： PGLFQTKONIETGE-UHFFFAOYSA-N
- SMILES： S1C2=CC=CC(OCCOC)=C2N=C1N
Computed Properties
- Exact Mass: 224.062
- Monoisotopic Mass: 224.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 85.6A^2
2-Benzothiazolamine,4-(2-methoxyethoxy)-(9CI) Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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