Cas no 115-55-9 (3,5-Thiomorpholinedione,2-ethyl-2-phenyl-)
115-55-9 structure
Product Name:3,5-Thiomorpholinedione,2-ethyl-2-phenyl-
CAS No:115-55-9
MF:C12H13NO2S
MW:235.30212187767
CID:159793
PubChem ID:227260
Update Time:2025-04-19
3,5-Thiomorpholinedione,2-ethyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Thiomorpholinedione,2-ethyl-2-phenyl-
- 2-ethyl-2-phenylthiomorpholine-3,5-dione
- 2-Aethyl-2-phenyl-thiomorpholin-3,5-dion
- 2-Ethyl-2-phenyl-3,5-thiamorpholinedione
- 2-Ethyl-2-phenyl-thiomorpholin-3,5-dion
- 2-ethyl-2-phenyl-thiomorpholine-3,5-dione
- AC1Q6LVM
- NSC18713
- Phenylthilone
- Phenylthilone [USAN]
- Phenythilone
- Phenythilone [INN]
- Thimorlone
- 2-ethyl-2-phenyl-thiomorpholine-3,5-quinone
- IJCATHLRDWDKAS-UHFFFAOYSA-N
- CHEMBL2106881
- NSC-18713
- DTXSID50861744
- NS00122229
- UNII-V8350F4A37
- 3, 2-ethyl-2-phenyl-
- Dl-thimorlone
- NSC 18713
- 115-55-9
- V8350F4A37
- Q27291654
- 2-Ethyl-2-phenyl-3,5-thiomorpholinedione #
- SCHEMBL719266
- 3,5-Thiomorpholinedione, 2-ethyl-2-phenyl-
- 2-Ethyl-2-phenyl-1,4-thiazine-3,5(4H,6H)-dione
-
- Inchi： 1S/C12H13NO2S/c1-2-12(9-6-4-3-5-7-9)11(15)13-10(14)8-16-12/h3-7H,2,8H2,1H3,(H,13,14,15)
- InChI Key： IJCATHLRDWDKAS-UHFFFAOYSA-N
- SMILES： S1CC(NC(C1(C1C=CC=CC=1)CC)=O)=O
Computed Properties
- Exact Mass: 235.06679
- Monoisotopic Mass: 235.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 299
- 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
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 2.2
- Topological Polar Surface Area: 71.5A^2
Experimental Properties
- Density: 1.205
- Boiling Point: 444.1°Cat760mmHg
- Flash Point: 222.4°C
- Refractive Index: 1.568
- PSA: 46.17
- LogP: 2.01030
3,5-Thiomorpholinedione,2-ethyl-2-phenyl- Related Literature
-
1. Regulation of diastereoselectivity through the epimerisation of a cyclic intermediate in the reaction of cyclic ketene ortho ester with aldehydesChan-Mo Yu,Jae-Young Lee,Kwangwoo Chun,Junhee Lee,Yong-Am Lee ortho ester with aldehydes. Chan-Mo Yu Jae-Young Lee Kwangwoo Chun Junhee Lee Yong-Am Lee J. Chem. Soc. Perkin Trans. 1 2000 3622
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