Cas no 180420-54-6 (Aspartic acid, 3-(methylthio)-)
180420-54-6 structure
Product Name:Aspartic acid, 3-(methylthio)-
CAS No:180420-54-6
MF:C5H9NO4S
MW:179.19426035881
CID:1371021
Update Time:2024-08-16
Aspartic acid, 3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- Aspartic acid, 3-(methylthio)-
-
- Inchi： 1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3?/m0/s1
- InChI Key： AOSGDBLMPHPJQU-SCQFTWEKSA-N
- SMILES： C(O)(=O)[C@H](C(SC)C(O)=O)N
Computed Properties
- Exact Mass: 179.02527
Experimental Properties
- Density: 1.509±0.06 g/cm3(Predicted)
- Boiling Point: 294.9±40.0 °C(Predicted)
- PSA: 100.62
- pka: 2.04±0.27(Predicted)
Aspartic acid, 3-(methylthio)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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