Cas no 157764-13-1 (2-(6-Methyl-1,3-benzothiazol-2-yl)acetonitrile)
157764-13-1 structure
Product Name:2-(6-Methyl-1,3-benzothiazol-2-yl)acetonitrile
CAS No:157764-13-1
MF:C10H8N2S
MW:188.248920440674
CID:107897
PubChem ID:23460827
Update Time:2024-02-29
2-(6-Methyl-1,3-benzothiazol-2-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazoleacetonitrile,6-methyl-
- 2-Benzothiazoleacetonitrile,6-methyl-(9CI)
- 2-(6-methyl-1,3-benzothiazol-2-yl)acetonitrile
- 2-(6-Methyl-1,3-benzothiazol-2-yl)acetonitrile
-
- Inchi： 1S/C10H8N2S/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3
- InChI Key： GPVIMRWUMNAAKJ-UHFFFAOYSA-N
- SMILES： S1C(CC#N)=NC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 188.041
- Monoisotopic Mass: 188.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- 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: 2.4
- Topological Polar Surface Area: 64.9
2-(6-Methyl-1,3-benzothiazol-2-yl)acetonitrile Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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