Cas no 65382-84-5 (Benzamide, N-ethyl-2-mercapto-)
65382-84-5 structure
Product Name:Benzamide, N-ethyl-2-mercapto-
CAS No:65382-84-5
MF:C9H11NOS
MW:181.254740953445
CID:399519
PubChem ID:12218255
Update Time:2025-04-19
Benzamide, N-ethyl-2-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-ethyl-2-mercapto-
- N-ethyl-2-sulfanylbenzamide
- AKOS000183535
- SCHEMBL11588129
- 65382-84-5
- DTXSID50480974
-
- Inchi： 1S/C9H11NOS/c1-2-10-9(11)7-5-3-4-6-8(7)12/h3-6,12H,2H2,1H3,(H,10,11)
- InChI Key： OBVPQWJVZSPDMQ-UHFFFAOYSA-N
- SMILES： SC1C=CC=CC=1C(NCC)=O
Computed Properties
- Exact Mass: 181.05623
- Monoisotopic Mass: 181.05613515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 2.5
- Topological Polar Surface Area: 30.1?2
Experimental Properties
- PSA: 29.1
Benzamide, N-ethyl-2-mercapto- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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