Cas no 27038-77-3 (2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI))
![2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI) structure](https://ossimg.kuujia.com/scimg/27500/27038-77-3x500.png)
27038-77-3 structure
Product Name:2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI)
CAS No:27038-77-3
MF:C22H16S2
MW:344.492443084717
CID:263493
PubChem ID:71358720
Update Time:2025-04-19
2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI)
- 1,12-Dithia[2.2](2,7)naphthalinophane
- 1,12-Dithia-<2,2>(2,7)-naphthalinophan
- 2,12-Dithiapentacyclo[11.5.3.3~4,10~.0~7,23~.0~16,20~]tetracosa-1(19),4(24),5,7(23),8,10(22),13(21),14,16(20),17-decaene (non-preferred name)
- 27038-77-3
- DTXSID70782684
-
- Inchi： 1S/C22H16S2/c1-3-17-4-2-16-10-19(17)9-15(1)13-23-21-7-5-18-6-8-22(24-14-16)12-20(18)11-21/h1-12H,13-14H2
- InChI Key： ISIJLURRZVRNQX-UHFFFAOYSA-N
- SMILES： S1C2C=CC3C=CC(=CC=3C=2)SCC2C=CC3C=CC(C1)=CC=3C=2
Computed Properties
- Exact Mass: 344.06948
- Monoisotopic Mass: 344.06934286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 400
- 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: 6.5
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 0
2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
27038-77-3 (2,12-Dithiapentacyclo[11.5.3.34,10.07,23.016,20]tetracosa-1(19),4,6,8,10(22),13,15,17,20,23-decaene(8CI,9CI)) Related Products
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