Cas no 157764-44-8 (2-Benzothiazoleacetonitrile,alpha-oxo-(9CI))
157764-44-8 structure
Product Name:2-Benzothiazoleacetonitrile,alpha-oxo-(9CI)
CAS No:157764-44-8
MF:C9H4N2OS
MW:188.205860137939
CID:107899
Update Time:2023-04-02
2-Benzothiazoleacetonitrile,alpha-oxo-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazoleacetonitrile,a-oxo-
- 2-Benzothiazoleacetonitrile, α-oxo-
- 2-Benzothiazoleacetonitrile,alpha-oxo-(9CI)
-
- Inchi： 1S/C9H4N2OS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H
- InChI Key： AEGNEAPEMMUCIQ-UHFFFAOYSA-N
- SMILES： C(C#N)(C1=NC2=CC=CC=C2S1)=O
Computed Properties
- Exact Mass: 188.004
- Monoisotopic Mass: 188.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 2.2
- Topological Polar Surface Area: 82A^2
2-Benzothiazoleacetonitrile,alpha-oxo-(9CI) Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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