Cas no 219729-65-4 (4-Pyrimidinecarboxaldehyde,2-(propylthio)-)
219729-65-4 structure
Product Name:4-Pyrimidinecarboxaldehyde,2-(propylthio)-
CAS No:219729-65-4
MF:C8H10N2OS
MW:182.242800235748
CID:243701
PubChem ID:12052039
Update Time:2025-04-19
4-Pyrimidinecarboxaldehyde,2-(propylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxaldehyde,2-(propylthio)-
- 2-(propylthio)-4-Pyrimidinecarboxaldehyde
- 2-propylsulfanylpyrimidine-4-carbaldehyde
- 2-(propylthio)pyrimidine-4-carboxaldehyde
- 2-PROPYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE
- 4-Pyrimidinecarboxaldehyde,2-(propylthio)
- FT-0766379
- 219729-65-4
- A-D-galactopyranoside,methy-4-deoxy-4-fluoro-,tribenzoate
- DTXSID90476533
- RDMFGANKPJTVRP-UHFFFAOYSA-N
- 2-(Propylthio)pyrimidine-4-carbaldehyde
- SCHEMBL4109091
- AKOS006227715
-
- Inchi： 1S/C8H10N2OS/c1-2-5-12-8-9-4-3-7(6-11)10-8/h3-4,6H,2,5H2,1H3
- InChI Key： RDMFGANKPJTVRP-UHFFFAOYSA-N
- SMILES： S(C1N=CC=C(C=O)N=1)CCC
Computed Properties
- Exact Mass: 182.05100
- Monoisotopic Mass: 182.05138412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- PSA: 68.15000
- LogP: 1.79120
4-Pyrimidinecarboxaldehyde,2-(propylthio)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
219729-65-4 (4-Pyrimidinecarboxaldehyde,2-(propylthio)-) Related Products
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