Cas no 106039-71-8 (5-fluoro-1,3-dihydro-6-methyl-2H-Benzimidazole-2-thione)
106039-71-8 structure
Product Name:5-fluoro-1,3-dihydro-6-methyl-2H-Benzimidazole-2-thione
CAS No:106039-71-8
MF:C8H7FN2S
MW:182.217983484268
CID:126980
PubChem ID:13763417
Update Time:2025-04-18
5-fluoro-1,3-dihydro-6-methyl-2H-Benzimidazole-2-thione Chemical and Physical Properties
Names and Identifiers
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- 5-fluoro-1,3-dihydro-6-methyl-2H-Benzimidazole-2-thione
- 2H-Benzimidazole-2-thione,5-fluoro-1,3-dihydro-6-methyl-
- 2H-Benzimidazole-2-thione,5-fluoro-1,3-dihydro-6-methyl-(9CI)
- SCHEMBL19886333
- 5-fluoro-6-methyl-1H-benzo[d]imidazole-2(3H)-thione
- SCHEMBL14502996
- 106039-71-8
- 5-fluoro-6-methyl-1,3-dihydrobenzimidazole-2-thione
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- Inchi： 1S/C8H7FN2S/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
- InChI Key： ZISYPNQQIIJWLS-UHFFFAOYSA-N
- SMILES： S=C1NC2C=C(C(C)=CC=2N1)F
Computed Properties
- Exact Mass: 182.03139757g/mol
- Monoisotopic Mass: 182.03139757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 209
- 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: 1.6
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 67.48000
- LogP: 2.29910
5-fluoro-1,3-dihydro-6-methyl-2H-Benzimidazole-2-thione Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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