Cas no 210-80-0 (Benzo[1,2-b:4,3-b']dithiophene)
![Benzo[1,2-b:4,3-b']dithiophene structure](https://ossimg.kuujia.com/scimg/500/210-80-0x500.png)
210-80-0 structure
Product Name:Benzo[1,2-b:4,3-b']dithiophene
CAS No:210-80-0
MF:C10H6S2
MW:190.284639835358
CID:2655460
Update Time:2023-08-06
Benzo[1,2-b:4,3-b']dithiophene Chemical and Physical Properties
Names and Identifiers
-
- Benzo[1,2-b:4,3-b']dithiophene
- Benzodithiophene
- CRUIOQJBPNKOJG-UHFFFAOYSA-N
- Benzo[1,2--b:4,3--b']-dithiophen
-
- Inchi： 1S/C10H6S2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-6H
- InChI Key： CRUIOQJBPNKOJG-UHFFFAOYSA-N
- SMILES： S1C=CC2=C1C=CC1=C2C=CS1
Computed Properties
- Exact Mass: 189.991
- Monoisotopic Mass: 189.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 161
- 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
- Topological Polar Surface Area: 56.5
Benzo[1,2-b:4,3-b']dithiophene Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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