Cas no 149367-82-8 (5-(Dimethylamino)-1,3-dihydrobenzimidazole-2-thione)
149367-82-8 structure
Product Name:5-(Dimethylamino)-1,3-dihydrobenzimidazole-2-thione
CAS No:149367-82-8
MF:C9H11N3S
MW:193.268739938736
CID:100251
Update Time:2023-08-02
5-(Dimethylamino)-1,3-dihydrobenzimidazole-2-thione Chemical and Physical Properties
Names and Identifiers
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- 2H-Benzimidazole-2-thione,5-(dimethylamino)-1,3-dihydro-
- 2H-Benzimidazole-2-thione,5-(dimethylamino)-1,3-dihydro-(9CI)
- 5-(dimethylamino)-1,3-dihydrobenzimidazole-2-thione
- 5-(Dimethylamino)-1,3-dihydrobenzimidazole-2-thione
-
- Inchi： 1S/C9H11N3S/c1-12(2)6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,1-2H3,(H2,10,11,13)
- InChI Key： FYYXHXCCYXEHNR-UHFFFAOYSA-N
- SMILES： S=C1NC2C=CC(=CC=2N1)N(C)C
Computed Properties
- Exact Mass: 193.067
- Monoisotopic Mass: 193.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 1.3
- Topological Polar Surface Area: 59.4
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Boiling Point: 336.7±44.0 °C(Predicted)
- pka: 10.47±0.30(Predicted)
5-(Dimethylamino)-1,3-dihydrobenzimidazole-2-thione Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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