Cas no 29588-05-4 (4-Imidazolidinepropanamide,5-oxo-1-phenyl-2-thioxo-, (4S)-)
29588-05-4 structure
Product Name:4-Imidazolidinepropanamide,5-oxo-1-phenyl-2-thioxo-, (4S)-
CAS No:29588-05-4
MF:C12H13N3O2S
MW:263.315521001816
CID:239324
PubChem ID:688545
Update Time:2025-04-19
4-Imidazolidinepropanamide,5-oxo-1-phenyl-2-thioxo-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Imidazolidinepropanamide,5-oxo-1-phenyl-2-thioxo-, (4S)-
- 3-[(4S)-5-Oxo-1-phenyl-2-thioxoimidazolidin-4-yl]propanamide
- 4-IMIDAZOLIDINEPROPANAMIDE, 5-OXO-1-PHENYL-2-THIOXO-, (S)-
- 3-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]propanamide
- Phenylthiohydantoin-glutamine, AldrichCPR
- 4-Imidazolidinepropionamide, 5-oxo-1-phenyl-2-thioxo-, L-
- Phenylthiohydantoin glutamine
- 4-Imidazolidinepropanamide, 5-oxo-1-phenyl-2-thioxo-, (4S)-
- 29588-05-4
- Phenylthiohydantoin L-glutamine
- PTH-L-glutamine
- UNCINZHSIAEDPO-VIFPVBQESA-N
- 3-(5-Oxo-1-phenyl-2-thioxo-4-imidazolidinyl)propanamide, (4S)-
- L-Glutamine phenylthiohydantoin
- Phenylthiohydantoin glutamine)
-
- Inchi： 1S/C12H13N3O2S/c13-10(16)7-6-9-11(17)15(12(18)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18)/t9-/m0/s1
- InChI Key： UNCINZHSIAEDPO-VIFPVBQESA-N
- SMILES： S=C1N(C2C=CC=CC=2)C([C@H](CCC(N)=O)N1)=O
Computed Properties
- Exact Mass: 263.07299
- Monoisotopic Mass: 263.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 108?2
Experimental Properties
- Density: 1.4
- Boiling Point: 476.7°C at 760 mmHg
- Flash Point: 242.1°C
- Refractive Index: 1.68
- PSA: 75.43
4-Imidazolidinepropanamide,5-oxo-1-phenyl-2-thioxo-, (4S)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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