Cas no 31657-20-2 (Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]-)
![Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]- structure](https://ossimg.kuujia.com/scimg/32000/31657-20-2x500.png)
31657-20-2 structure
Product Name:Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]-
CAS No:31657-20-2
MF:C16H16N2O2S
MW:300.375442504883
CID:317574
PubChem ID:301308
Update Time:2025-04-19
Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]-
- CHEMBL3900399
- DTXSID90306609
- NSC-177928
- 31657-20-2
- N-(2-amino-1-benzylsulfanyl-2-oxoethyl)benzamide
- NSC177928
-
- Inchi： 1S/C16H16N2O2S/c17-14(19)16(21-11-12-7-3-1-4-8-12)18-15(20)13-9-5-2-6-10-13/h1-10,16H,11H2,(H2,17,19)(H,18,20)
- InChI Key： QDQWKLNQYZGFCX-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)C(C(N)=O)NC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 300.09338
- Monoisotopic Mass: 300.093
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 350
- 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: 2.4
- Topological Polar Surface Area: 97.5?2
Experimental Properties
- Density: 1.258
- Boiling Point: 550.2°Cat760mmHg
- Flash Point: 286.5°C
- Refractive Index: 1.632
- PSA: 72.19
Benzamide,N-[2-amino-2-oxo-1-[(phenylmethyl)thio]ethyl]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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