Cas no 10580-80-0 (Benzene,1,1'-sulfonylbis[2,4,6-trinitro-)
10580-80-0 structure
Product Name:Benzene,1,1'-sulfonylbis[2,4,6-trinitro-
CAS No:10580-80-0
MF:C12H4N6O14S
MW:488.256960868835
CID:160787
PubChem ID:82740
Update Time:2025-04-19
Benzene,1,1'-sulfonylbis[2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfonylbenzene
- bis(2,4,6-trinitrophenyl) sulphone
- 2.4.6.2'.4'.6'-Hexanitro-diphenylsulfon
- AC1L340N
- AC1Q1GOD
- AG-D-19704
- AR-1L0984
- bis(2,4,6-trinitrophenyl) sulfone
- CTK4A4151
- dipicryl sulfone
- Dipicryl-sulfon
- EINECS 234-178-8
- Picryl sulfone
- Pikrylsulfon
- 1,1'-Sulfonylbis[2,4,6-trinitrobenzene]
- Benzene, 1,1'-sulfonylbis(2,4,6-trinitro-
- 10580-80-0
- Benzene, 1,1'-sulfonylbis[2,4,6-trinitro-
- Benzene,1,1'-sulfonylbis[2,4,6-trinitro-
- SCHEMBL3310402
- 3QSN5TRN6Q
- DTXSID6065131
- NS00023391
-
- Inchi： 1S/C12H4N6O14S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)33(31,32)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
- InChI Key： LBSKWFDEDNVDAU-UHFFFAOYSA-N
- SMILES： S(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])(C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 487.95062
- Monoisotopic Mass: 487.95062000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 842
- 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: 1.7
- Topological Polar Surface Area: 317?2
Experimental Properties
- PSA: 292.98
Benzene,1,1'-sulfonylbis[2,4,6-trinitro- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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