Cas no 130593-24-7 (2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-)
130593-24-7 structure
Product Name:2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-
CAS No:130593-24-7
MF:C10H8N2OS
MW:204.248320579529
CID:102574
Update Time:2024-01-24
2-Benzothiazolecarbonitrile,6-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-
- 6-Methoxy-4-methyl-1,3-benzothiazole-2-carbonitrile
- 6-methoxy-4-methylbenzo[d]thiazole-2-carbonitrile
- 2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI)
- 2-Benzothiazolecarbonitrile, 6-methoxy-4-methyl-
-
- Inchi： 1S/C10H8N2OS/c1-6-3-7(13-2)4-8-10(6)12-9(5-11)14-8/h3-4H,1-2H3
- InChI Key： FYTQITYKFFXNCC-UHFFFAOYSA-N
- SMILES： S1C2=CC(OC)=CC(C)=C2N=C1C#N
Computed Properties
- Exact Mass: 204.03584
- Monoisotopic Mass: 204.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 262
- 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: 74.2A^2
Experimental Properties
- Density: 1.313
- Boiling Point: 354.022 °C at 760 mmHg
- Flash Point: 167.907 °C
- PSA: 45.91
2-Benzothiazolecarbonitrile,6-methoxy-4-methyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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