Cas no 92680-91-6 (N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide)
![N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide structure](https://ossimg.kuujia.com/scimg/93000/92680-91-6x500.png)
92680-91-6 structure
Product Name:N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide
CAS No:92680-91-6
MF:C13H18N2O2S2
MW:298.424220561981
CID:1974576
PubChem ID:185190
Update Time:2025-04-21
N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide Chemical and Physical Properties
Names and Identifiers
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- N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide
- N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)octanamide
- N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide
- CHEBI:177552
- Octanoyl holothin
- Xenorhabdin 3
- xenorhabdin III
- N-(5-oxo-4h-dithiolo(3,4-d)pyrrol-6-yl)octanamide
- SCHEMBL10735705
- 92680-91-6
- DTXSID20239097
-
- Inchi： 1S/C13H18N2O2S2/c1-2-3-4-5-6-7-10(16)15-11-12-9(8-18-19-12)14-13(11)17/h8H,2-7H2,1H3,(H,14,17)(H,15,16)
- InChI Key： KMGWVOLORMQZAF-UHFFFAOYSA-N
- SMILES： S1C2C(=CS1)NC(C=2NC(CCCCCCC)=O)=O
Computed Properties
- Exact Mass: 298.08097017g/mol
- Monoisotopic Mass: 298.08097017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 444
- 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: 2.2
- Topological Polar Surface Area: 109?2
N-(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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