Cas no 661450-77-7 (5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)-)
661450-77-7 structure
Product Name:5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)-
CAS No:661450-77-7
MF:C9H13N3OS
MW:211.284020185471
CID:1703288
Update Time:2024-08-31
5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)-
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- Inchi： 1S/C9H13N3OS/c1-2-3-4-14-9-11-5-7(6-13)8(10)12-9/h5-6H,2-4H2,1H3,(H2,10,11,12)
- InChI Key： JMCIJYCEOWHXSR-UHFFFAOYSA-N
- SMILES： C1(SCCCC)=NC=C(C=O)C(N)=N1
Computed Properties
- Exact Mass: 211.07809
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 396.2±27.0 °C(Predicted)
- PSA: 68.87
- pka: 2.30±0.10(Predicted)
5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
661450-77-7 (5-Pyrimidinecarboxaldehyde, 4-amino-2-(butylthio)-) Related Products
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