Cas no 820101-15-3 (2-Benzothiazolamine, N-butyl-7-nitro-)
820101-15-3 structure
Product Name:2-Benzothiazolamine, N-butyl-7-nitro-
CAS No:820101-15-3
MF:C11H13N3O2S
MW:251.304820775986
CID:701659
PubChem ID:71420573
Update Time:2025-04-19
2-Benzothiazolamine, N-butyl-7-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine, N-butyl-7-nitro-
- N-butyl-7-nitro-1,3-benzothiazol-2-amine
- DTXSID20839758
- 820101-15-3
-
- Inchi： 1S/C11H13N3O2S/c1-2-3-7-12-11-13-8-5-4-6-9(14(15)16)10(8)17-11/h4-6H,2-3,7H2,1H3,(H,12,13)
- InChI Key： CSKIBSCCBPOEGK-UHFFFAOYSA-N
- SMILES： S1C2C(=CC=CC=2N=C1NCCCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 251.07284784g/mol
- Monoisotopic Mass: 251.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 272
- 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: 3.8
- Topological Polar Surface Area: 99?2
2-Benzothiazolamine, N-butyl-7-nitro- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
820101-15-3 (2-Benzothiazolamine, N-butyl-7-nitro-) Related Products
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