Cas no 867353-54-6 (5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)-)
867353-54-6 structure
Product Name:5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)-
CAS No:867353-54-6
MF:C7H9N3OS
MW:183.230859518051
CID:1863567
PubChem ID:59108860
Update Time:2025-04-21
5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)-
- 4-amino-2-(ethylthio)pyrimidine-5-carbaldehyde
- DA-01935
- APEFCNDMCFPSNB-UHFFFAOYSA-N
- SCHEMBL2898609
- 867353-54-6
-
- Inchi： 1S/C7H9N3OS/c1-2-12-7-9-3-5(4-11)6(8)10-7/h3-4H,2H2,1H3,(H2,8,9,10)
- InChI Key： APEFCNDMCFPSNB-UHFFFAOYSA-N
- SMILES： S(C1=NC=C(C=O)C(N)=N1)CC
Computed Properties
- Exact Mass: 183.04663309Da
- Monoisotopic Mass: 183.04663309Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 1.1
- Topological Polar Surface Area: 94.2?2
5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
867353-54-6 (5-Pyrimidinecarboxaldehyde, 4-amino-2-(ethylthio)-) Related Products
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