Cas no 89777-42-4 (1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1,5-bis(methylsulfonyl)-)
89777-42-4 structure
Product Name:1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1,5-bis(methylsulfonyl)-
CAS No:89777-42-4
MF:C11H16N2O4S2
MW:304.385740280151
CID:589498
PubChem ID:13223248
Update Time:2025-04-19
1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1,5-bis(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1,5-bis(methylsulfonyl)-
- 1,5-bis(methylsulfonyl)-3,4-dihydro-2H-1,5-benzodiazepine
- DTXSID10529671
- 89777-42-4
- 1,5-Di(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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- Inchi： 1S/C11H16N2O4S2/c1-18(14,15)12-8-5-9-13(19(2,16)17)11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9H2,1-2H3
- InChI Key： ZUASALVDSBDPFM-UHFFFAOYSA-N
- SMILES： S(C)(N1C2C=CC=CC=2N(CCC1)S(C)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 304.05514934g/mol
- Monoisotopic Mass: 304.05514934g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 470
- 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: 0.3
- Topological Polar Surface Area: 91.5?2
1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-1,5-bis(methylsulfonyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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