Cas no 91384-92-8 ( )
structure
Product Name:
CAS No:91384-92-8
MF:C12H6S3
MW:246.371038913727
CID:996353
PubChem ID:342649
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- trithio-1,8-naphthalic anhydride
- NSC-380082
- NSC380082
- 91384-92-8
- DTXSID80321689
- 1H,3H-Naphtho[1,8-cd]thiopyran-1,3-dithione
- 1H,3H-benzo[de]isothiochromene-1,3-dithione
-
-
- Inchi： 1S/C12H6S3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H
- InChI Key： QQSPONDSXWRHIB-UHFFFAOYSA-N
- SMILES： S1C(C2C=CC=C3C=CC=C(C1=S)C3=2)=S
Computed Properties
- Exact Mass: 245.963
- Monoisotopic Mass: 245.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 282
- 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: 4.3
- Topological Polar Surface Area: 89.5?2
Experimental Properties
- Density: 1.51
- Boiling Point: 453.2°C at 760 mmHg
- Flash Point: 227.9°C
- Refractive Index: 1.87
Related Literature
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
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
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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