Cas no 91137-14-3 (4-Thiazolidinone,5-(1-phenylethylidene)-2-thioxo-)
91137-14-3 structure
Product Name:4-Thiazolidinone,5-(1-phenylethylidene)-2-thioxo-
CAS No:91137-14-3
MF:C11H9NOS2
MW:235.325259923935
CID:813828
PubChem ID:3095431
Update Time:2025-04-19
4-Thiazolidinone,5-(1-phenylethylidene)-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolidinone,5-(1-phenylethylidene)-2-thioxo-
- (5Z)-5-(1-phenylethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
- DTXSID10389156
- AKOS000543903
- SCHEMBL12961165
- 91137-14-3
- MLS002704092
- NSC108794
- (z)-5-(1-phenylethylidene)-2-thioxothiazolidin-4-one
- NSC-108794
-
- Inchi： 1S/C11H9NOS2/c1-7(8-5-3-2-4-6-8)9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)/b9-7-
- InChI Key： NGQUBXTVJKYYRQ-CLFYSBASSA-N
- SMILES： S1C(NC(/C/1=C(\C)/C1C=CC=CC=1)=O)=S
Computed Properties
- Exact Mass: 235.01300
- Monoisotopic Mass: 235.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 86.5?2
Experimental Properties
- Density: 1.37
- Refractive Index: 1.703
- PSA: 86.49000
- LogP: 2.89430
4-Thiazolidinone,5-(1-phenylethylidene)-2-thioxo- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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2. 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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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