Cas no 54533-69-6 ( )
structure
Product Name:
CAS No:54533-69-6
MF:C37H39N3O8S3
MW:749.915866136551
CID:941776
PubChem ID:316682
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N,N'-{[(4-Methylbenzene-1-sulfonyl)azanediyl]bis[(ethane-2,1-diyl)oxy-2,1-phenylene]}bis(4-methylbenzene-1-sulfonamide)
- 54533-69-6
- 4-methyl-N,N-bis[2-[2-[(4-methylphenyl)sulfonylamino]phenoxy]ethyl]benzenesulfonamide
- NSC-245016
- DTXSID50311719
- DS-015290
- NSC245016
-
-
- Inchi： 1S/C37H39N3O8S3/c1-28-12-18-31(19-13-28)49(41,42)38-34-8-4-6-10-36(34)47-26-24-40(51(45,46)33-22-16-30(3)17-23-33)25-27-48-37-11-7-5-9-35(37)39-50(43,44)32-20-14-29(2)15-21-32/h4-23,38-39H,24-27H2,1-3H3
- InChI Key： QHXFCBNAZCBHPF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N(CCOC1=CC=CC=C1NS(C1C=CC(C)=CC=1)(=O)=O)CCOC1=CC=CC=C1NS(C1C=CC(C)=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 749.19017
- Monoisotopic Mass: 749.19
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 51
- Rotatable Bond Count: 16
- Complexity: 1290
- 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: 173?2
Experimental Properties
- Density: 1.358
- Boiling Point: 886.8°C at 760 mmHg
- Flash Point: 490.1°C
- Refractive Index: 1.641
- PSA: 148.18
Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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