Cas no 7714-23-0 (Acetamide, N-(2-cyano-6-benzothiazolyl)-)
7714-23-0 structure
Product Name:Acetamide, N-(2-cyano-6-benzothiazolyl)-
CAS No:7714-23-0
MF:C10H7N3OS
MW:217.247080087662
CID:848789
Update Time:2023-08-02
Acetamide, N-(2-cyano-6-benzothiazolyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Benzothiazolecarbonitrile,6-acetamido-(7CI,8CI)
- Acetamide, N-(2-cyano-6-benzothiazolyl)-
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- Inchi： 1S/C10H7N3OS/c1-6(14)12-7-2-3-8-9(4-7)15-10(5-11)13-8/h2-4H,1H3,(H,12,14)
- InChI Key： JSHKOWBTIQMRTC-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2C=CC(=CC1=2)NC(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 311
- XLogP3: 2
- Topological Polar Surface Area: 94
Acetamide, N-(2-cyano-6-benzothiazolyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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