Cas no 3840-05-9 ( )
structure
Product Name:
CAS No:3840-05-9
MF:C18H14O6S2
MW:390.430162906647
CID:923465
PubChem ID:347822
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- AC1L886Q; 1,4-Bis-benzolsulfonyloxy-benzol; Hydrochinonbenzolsulfonat; Quinol dibenzolsulphonat; CTK1C5292; 1,4-bis(benzenesulfonyloxy)benzene; NSC406693; 1,4-bis-benzenesulfonyloxy-benzene; ZINC01599373;
- DTXSID70324427
- AKOS025150666
- 4-[(BENZENESULFONYL)OXY]PHENYL BENZENESULFONATE
- 1,4-bis(benzenesulfonyloxy)benzene
- 3840-05-9
- [4-(benzenesulfonyloxy)phenyl] benzenesulfonate
- 1,4-bis(phenylsulfonyloxy)benzene
- NSC406693
- NSC-406693
-
-
- Inchi： 1S/C18H14O6S2/c19-25(20,17-7-3-1-4-8-17)23-15-11-13-16(14-12-15)24-26(21,22)18-9-5-2-6-10-18/h1-14H
- InChI Key： YABVILCILGOKJI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(=O)(=O)OC1C=CC(=CC=1)OS(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 390.02322
- Monoisotopic Mass: 390.02318051g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 568
- 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: 4.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 86.74
Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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