Cas no 100137-37-9 (Benzenesulfonamide,4,4'-dithiobis[3-nitro- (6CI,9CI))
100137-37-9 structure
Product Name:Benzenesulfonamide,4,4'-dithiobis[3-nitro- (6CI,9CI)
CAS No:100137-37-9
MF:C12H10N4O8S4
MW:466.489797115326
CID:152139
PubChem ID:318493
Update Time:2025-04-19
Benzenesulfonamide,4,4'-dithiobis[3-nitro- (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-nitro-4-[(2-nitro-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
- NSC 255089
- CHEMBL121091
- Q6F5NUX32Z
- 4,4'-Dithiobis(3-nitrobenzenesulfonamide)
- 100137-37-9
- UNII-Q6F5NUX32Z
- Benzenesulfonamide, 4,4'-dithiobis[3-nitro-
- Benzenesulfonamide, 4,4'-dithiobis(3-nitro-
- DTXSID40142973
- 3-nitro-4-[(2-nitro-4-sulfamoyl-phenyl)disulfanyl]benzenesulfonamide
- NSC-255089
- NSC255089
- Benzenesulfonamide,4,4'-dithiobis[3-nitro- (6CI,9CI)
-
- Inchi： 1S/C12H10N4O8S4/c13-27(21,22)7-1-3-11(9(5-7)15(17)18)25-26-12-4-2-8(28(14,23)24)6-10(12)16(19)20/h1-6H,(H2,13,21,22)(H2,14,23,24)
- InChI Key： BMNWYRSTEGXYJW-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)[N+](=O)[O-])SSC1C=CC(=CC=1[N+](=O)[O-])S(N)(=O)=O)(N)(=O)=O
Computed Properties
- Exact Mass: 465.9383
- Monoisotopic Mass: 465.938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 729
- 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: 0.8
- Topological Polar Surface Area: 279?2
Experimental Properties
- Density: 1.89
- Boiling Point: 709.3°Cat760mmHg
- Flash Point: 382.7°C
- Refractive Index: 1.791
- PSA: 206.6
- LogP: 6.20580
Benzenesulfonamide,4,4'-dithiobis[3-nitro- (6CI,9CI) Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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