Cas no 116485-01-9 (2H-Benzimidazole-2-thione, 4,6-dibromo-1,3-dihydro-)
116485-01-9 structure
Product Name:2H-Benzimidazole-2-thione, 4,6-dibromo-1,3-dihydro-
CAS No:116485-01-9
MF:C7H4Br2N2S
MW:307.993058204651
CID:1205871
PubChem ID:12013351
Update Time:2025-04-20
2H-Benzimidazole-2-thione, 4,6-dibromo-1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazole-2-thione, 4,6-dibromo-1,3-dihydro-
- 116485-01-9
- 5,7-Dibromo-1H-1,3-benzodiazole-2-thiol
- EN300-362995
- SCHEMBL16134547
- CHEMBL2235630
- 4,6-dibromo-2,3-dihydro-1H-1,3-benzodiazole-2-thione
-
- Inchi: 1S/C7H4Br2N2S/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12)
- InChI Key: JZGOLAQUSVAEDG-UHFFFAOYSA-N
- SMILES: BrC1=CC(=CC2=C1NC(N2)=S)Br
Computed Properties
- Exact Mass: 305.84622
- Monoisotopic Mass: 305.84619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 2.5
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
2H-Benzimidazole-2-thione, 4,6-dibromo-1,3-dihydro- Related Literature
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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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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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