Cas no 79759-87-8 (2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-3-phenyl-)
79759-87-8 structure
Product Name:2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-3-phenyl-
CAS No:79759-87-8
MF:C14H11ClN2S
MW:274.768540620804
CID:573614
PubChem ID:3061813
Update Time:2025-04-19
2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-3-phenyl-
- 1,3-Dihydro-5-chloro-1-methyl-3-phenyl-2H-benzimidazole-2-thione
- 5-chloro-1-methyl-3-phenylbenzimidazole-2-thione
- DTXSID70229903
- BRN 5554959
- 2H-Benzimidazole-2-thione, 1,3-dihydro-5-chloro-1-methyl-3-phenyl-
- 79759-87-8
-
- Inchi： 1S/C14H11ClN2S/c1-16-12-8-7-10(15)9-13(12)17(14(16)18)11-5-3-2-4-6-11/h2-9H,1H3
- InChI Key： FZHOHVPNPYULCT-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)N(C1C=CC=CC=1)C(N2C)=S
Computed Properties
- Exact Mass: 274.033
- Monoisotopic Mass: 274.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 330
- 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: 38.6?2
Experimental Properties
- Density: 1.42
- Boiling Point: 410.8°C at 760 mmHg
- Flash Point: 202.2°C
- Refractive Index: 1.745
2H-Benzimidazole-2-thione,5-chloro-1,3-dihydro-1-methyl-3-phenyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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