Cas no 157764-04-0 (2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile)
157764-04-0 structure
Product Name:2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile
CAS No:157764-04-0
MF:C9H5ClN2S
MW:208.667399168015
CID:107891
Update Time:2023-08-02
2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazoleacetonitrile,6-chloro-
- 2-Benzothiazoleacetonitrile,6-chloro-(9CI)
- 2-(6-chloro-1,3-benzothiazol-2-yl)acetonitrile
- 2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile
-
- Inchi： 1S/C9H5ClN2S/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3H2
- InChI Key： WYBXFJOQIHCVTA-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)SC(CC#N)=N2
Computed Properties
- Exact Mass: 207.986
- Monoisotopic Mass: 207.986
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 237
- 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: 2.7
- Topological Polar Surface Area: 64.9
2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
157764-04-0 (2-(6-Chloro-1,3-benzothiazol-2-yl)acetonitrile) Related Products
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