Cas no 857547-92-3 (benzothiophene-2,3-dicarbonitrile)
857547-92-3 structure
Product Name:benzothiophene-2,3-dicarbonitrile
CAS No:857547-92-3
MF:C10H4N2S
MW:184.217160224915
CID:1846548
Update Time:2024-11-19
benzothiophene-2,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- benzothiophene-2,3-dicarbonitrile
- 1-Benzothiophen-2,3-dicarbonitril
- 1-benzothiophene-2,3-dicarbonitrile
- LogP
- Benzo[b]thiophene-2,3-dicarbonitrile
-
- Inchi： 1S/C10H4N2S/c11-5-8-7-3-1-2-4-9(7)13-10(8)6-12/h1-4H
- InChI Key： JMJLQBWRHVDSGG-UHFFFAOYSA-N
- SMILES： C12=CC=CC=C1C(C#N)=C(C#N)S2
Computed Properties
- Exact Mass: 184.01
- Monoisotopic Mass: 184.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 295
- 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
- Topological Polar Surface Area: 75.8A^2
Experimental Properties
- Density: 1.37
- Melting Point: 148 °C
- Boiling Point: 424.2°C at 760 mmHg
- Flash Point: 210.3°C
- Refractive Index: 1.694
benzothiophene-2,3-dicarbonitrile Related Literature
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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