Cas no 130997-59-0 (2(3H)-Benzothiazolimine,3-methyl-6-(trifluoromethoxy)-)
130997-59-0 structure
Product Name:2(3H)-Benzothiazolimine,3-methyl-6-(trifluoromethoxy)-
CAS No:130997-59-0
MF:C9H7F3N2OS
MW:248.224890947342
CID:190759
PubChem ID:3076399
Update Time:2025-04-19
2(3H)-Benzothiazolimine,3-methyl-6-(trifluoromethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzothiazolimine,3-methyl-6-(trifluoromethoxy)-
- 3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
- DTXSID50927016
- 2-Imino-3-methyl-6-trifluoromethoxybenzothiazoline
- SCHEMBL6251438
- 130997-59-0
- 3-Methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine
- 2(3H)-Benzothiazolimine, 3-methyl-6-(trifluoromethoxy)-
- CHEMBL317101
- 3-Methyl-6-(trifluoromethoxy)-2(3H)-benzothiazolimine
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- Inchi： 1S/C9H7F3N2OS/c1-14-6-3-2-5(15-9(10,11)12)4-7(6)16-8(14)13/h2-4,13H,1H3
- InChI Key： INECLHFXZHBSIL-UHFFFAOYSA-N
- SMILES： S1C(=N)N(C)C2C=CC(=CC1=2)OC(F)(F)F
Computed Properties
- Exact Mass: 248.02321
- Monoisotopic Mass: 248.023
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 297
- 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: 3.1
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- Density: 1.52
- Boiling Point: 273.1°C at 760 mmHg
- Flash Point: 118.9°C
- Refractive Index: 1.579
- PSA: 36.32
2(3H)-Benzothiazolimine,3-methyl-6-(trifluoromethoxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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