Cas no 99739-16-9 (6-Benzothiazoleacetonitrile, 2-amino-alpha-methyl-)
99739-16-9 structure
Product Name:6-Benzothiazoleacetonitrile, 2-amino-alpha-methyl-
CAS No:99739-16-9
MF:C10H9N3S
MW:203.263560056686
CID:877978
Update Time:2023-08-03
6-Benzothiazoleacetonitrile, 2-amino-alpha-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazoleacetonitrile,2-amino-alpha-methyl-(9CI)
- IHEABMHIKCSNJG-UHFFFAOYSA-N
- 2-(2-Amino-1,3-benzothiazol-6-yl)propanenitrile
- 6-Benzothiazoleacetonitrile, 2-amino-alpha-methyl-
- 2-amino-alpha-methyl benzothiazole-6-acetonitrile
-
- Inchi： 1S/C10H9N3S/c1-6(5-11)7-2-3-8-9(4-7)14-10(12)13-8/h2-4,6H,1H3,(H2,12,13)
- InChI Key： IHEABMHIKCSNJG-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2=CC=C(C=C12)C(C#N)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 259
- Topological Polar Surface Area: 90.9
6-Benzothiazoleacetonitrile, 2-amino-alpha-methyl- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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