Cas no 157763-98-9 (2-Benzothiazoleacetonitrile,a,a,6-trimethyl-)
157763-98-9 structure
Product Name:2-Benzothiazoleacetonitrile,a,a,6-trimethyl-
CAS No:157763-98-9
MF:C12H12N2S
MW:216.302081108093
CID:107886
Update Time:2022-07-26
2-Benzothiazoleacetonitrile,a,a,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazoleacetonitrile,a,a,6-trimethyl-
- 2-Benzothiazoleacetonitrile,alpha,alpha,6-trimethyl-(9CI)
- 2-Benzothiazoleacetonitrile, α,α,6-trimethyl-
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- Inchi： 1S/C12H12N2S/c1-8-4-5-9-10(6-8)15-11(14-9)12(2,3)7-13/h4-6H,1-3H3
- InChI Key： SCBPWPSSZZPNOM-UHFFFAOYSA-N
- SMILES： C(#N)C(C)(C1=NC2=CC=C(C)C=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,6-trimethyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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