Cas no 32496-94-9 (Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro-)
![Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro- structure](https://ossimg.kuujia.com/scimg/32500/32496-94-9x500.png)
32496-94-9 structure
Product Name:Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro-
CAS No:32496-94-9
MF:C15H13N3O4S
MW:331.346421957016
CID:322623
PubChem ID:301310
Update Time:2025-04-19
Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro-
- NSC177930
- DTXSID60306611
- N-(2-amino-2-oxo-1-phenylsulfanylethyl)-4-nitrobenzamide
- 32496-94-9
- NSC-177930
-
- Inchi： 1S/C15H13N3O4S/c16-13(19)15(23-12-4-2-1-3-5-12)17-14(20)10-6-8-11(9-7-10)18(21)22/h1-9,15H,(H2,16,19)(H,17,20)
- InChI Key： JYLIIVBZNUOAHW-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C(C(N)=O)NC(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 331.06279
- Monoisotopic Mass: 331.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 143?2
Experimental Properties
- Density: 1.43
- Boiling Point: 595.9°Cat760mmHg
- Flash Point: 314.2°C
- Refractive Index: 1.676
- PSA: 115.33
Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro- Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
32496-94-9 (Benzamide,N-[2-amino-2-oxo-1-(phenylthio)ethyl]-4-nitro-) Related Products
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