Cas no 346465-91-6 (Benzothiazole,4,5-dimethyl-)
Benzothiazole,4,5-dimethyl- structure
Product Name:Benzothiazole,4,5-dimethyl-
CAS No:346465-91-6
MF:C9H9NS
MW:163.239460706711
CID:302650
PubChem ID:23213839
Update Time:2025-04-19
Benzothiazole,4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,4,5-dimethyl-
- 4,5-Dimethylbenzothiazole
- 4,5-dimethyl-1,3-benzothiazole
- 346465-91-6
- 4,5-Dimethylbenzo[d]thiazole
- Benzothiazole, 4,5-dimethyl- (9CI)
- SCHEMBL7458773
- DB-285908
- BENZOTHIAZOLE, 4,5-DIMETHYL-
-
- MDL： MFCD18826556
- Inchi： 1S/C9H9NS/c1-6-3-4-8-9(7(6)2)10-5-11-8/h3-5H,1-2H3
- InChI Key： ORRRZUFZMHZCLG-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C=CC(C)=C2C
Computed Properties
- Exact Mass: 163.04567
- Monoisotopic Mass: 163.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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: 41.1A^2
- XLogP3: 3.1
Experimental Properties
- PSA: 12.89
Benzothiazole,4,5-dimethyl- Related Literature
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
L. Cuesta-Aluja,J. Castilla,A. M. Masdeu-Bultó Dalton Trans., 2016,45, 14658-14667
-
Chunbin Li,Yuan Luo,Jiaofeng Peng,Guanjun Deng,Jianguo Wang,Safacan Kolemen,Hongchun Li,Pengfei Zhang,Ping Gong,Lintao Cai Mater. Chem. Front., 2021,5, 7638-7644
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