Cas no 157763-74-1 (2-Benzothiazoleacetonitrile,a,a,4-trimethyl-)
157763-74-1 structure
Product Name:2-Benzothiazoleacetonitrile,a,a,4-trimethyl-
CAS No:157763-74-1
MF:C12H12N2S
MW:216.302081108093
CID:107880
Update Time:2022-09-22
2-Benzothiazoleacetonitrile,a,a,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazoleacetonitrile,a,a,4-trimethyl-
- 2-Benzothiazoleacetonitrile,alpha,alpha,4-trimethyl-(9CI)
- 2-Benzothiazoleacetonitrile, α,α,4-trimethyl-
-
- Inchi： 1S/C12H12N2S/c1-8-5-4-6-9-10(8)14-11(15-9)12(2,3)7-13/h4-6H,1-3H3
- InChI Key： PKWWIGSAZVVZQN-UHFFFAOYSA-N
- SMILES： C(#N)C(C)(C1=NC2=C(C)C=CC=C2S1)C
Computed Properties
- Exact Mass: 216.072
- Monoisotopic Mass: 216.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 291
- 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: 64.9A^2
2-Benzothiazoleacetonitrile,a,a,4-trimethyl- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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