Cas no 31666-20-3 (Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro-)
![Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro- structure](https://ossimg.kuujia.com/scimg/32000/31666-20-3x500.png)
31666-20-3 structure
Product Name:Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro-
CAS No:31666-20-3
MF:C10H11N3O4S
MW:269.277040719986
CID:316942
PubChem ID:301309
Update Time:2025-04-19
Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro-
- N-(2-amino-1-methylsulfanyl-2-oxoethyl)-4-nitrobenzamide
- AC1L6Y5H
- Methylmercapto-(4-nitro-benzoylamino)-essigsaeure-amid
- N-[2-amino-1-(methylsulfanyl)-2-oxoethyl]-4-nitrobenzamide
- NSC177929
- AM20040156
- 31666-20-3
- NSC-177929
- DTXSID00306610
-
- Inchi： 1S/C10H11N3O4S/c1-18-10(8(11)14)12-9(15)6-2-4-7(5-3-6)13(16)17/h2-5,10H,1H3,(H2,11,14)(H,12,15)
- InChI Key： VTZYUPZPZTZJRS-UHFFFAOYSA-N
- SMILES： S(C)C(C(N)=O)NC(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 269.04713
- Monoisotopic Mass: 269.04702701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 337
- 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: 0.8
- Topological Polar Surface Area: 143?2
Experimental Properties
- PSA: 115.33
- LogP: 2.11340
Benzamide,N-[2-amino-1-(methylthio)-2-oxoethyl]-4-nitro- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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