Cas no 33893-37-7 ( )
structure
Product Name:
CAS No:33893-37-7
MF:C9H10N2O2S
MW:210.252900600433
CID:918518
PubChem ID:289747
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- CHEMBL448333; N-p-C2H5O2CC6H4-salicylaldimine; ethyl 4-(2-hydroxybenzylideneamino)benzoate; 4-((E)-Salicylidenamino)-benzoesaeure-aethylester; N-Methansulfonamido-benzylcyanid; 4-((E)-Hydroxyimino-methyl)-1-methyl-pyridinium, Jodid; 4-((E)-hydroxyimino-methyl)-1-methyl-pyridinium, iodide; 4-((E)-salicylidenamino)-benzoic acid ethyl ester; N-(4-cyanomethylphenyl)methanesulfonamide; Salicylaldehyd-p-carbethoxyanil; trans-N-Salicyliden-<
- STL136994
- N-[4-(Cyanomethyl)phenyl]methanesulphonamide
- SCHEMBL4625352
- n-[4-(cyanomethyl)phenyl]methanesulfonamide
- NSC151985
- IABBFZUIRINZBY-UHFFFAOYSA-N
- NSC-151985
- N-(4-(Cyanomethyl)phenyl)methanesulfonamide
- DTXSID40955484
- 33893-37-7
- AKOS000390370
- AB00013310-01
-
-
- Inchi： 1S/C9H10N2O2S/c1-14(12,13)11-9-4-2-8(3-5-9)6-7-10/h2-5,11H,6H2,1H3
- InChI Key： IABBFZUIRINZBY-UHFFFAOYSA-N
- SMILES： CS(NC1C=CC(CC#N)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 210.0464
- Monoisotopic Mass: 210.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 315
- 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: 0.5
- Topological Polar Surface Area: 78.3?2
Experimental Properties
- Density: 1.346
- Boiling Point: 387.2°C at 760 mmHg
- Flash Point: 188°C
- Refractive Index: 1.594
- PSA: 69.96
- LogP: 2.27798
Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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