Cas no 66571-50-4 (3-Pyridinecarbothioic acid, S-(4,6-diamino-2-pyrimidinyl) ester)
66571-50-4 structure
Product Name:3-Pyridinecarbothioic acid, S-(4,6-diamino-2-pyrimidinyl) ester
CAS No:66571-50-4
MF:C10H9N5OS
MW:247.276359319687
CID:1710555
Update Time:2024-08-31
3-Pyridinecarbothioic acid, S-(4,6-diamino-2-pyrimidinyl) ester Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbothioic acid, S-(4,6-diamino-2-pyrimidinyl) ester
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- Inchi： 1S/C10H9N5OS/c11-7-4-8(12)15-10(14-7)17-9(16)6-2-1-3-13-5-6/h1-5H,(H4,11,12,14,15)
- InChI Key： CLJNLJMOKNHZSE-UHFFFAOYSA-N
- SMILES： C1=NC=CC=C1C(SC1=NC(N)=CC(N)=N1)=O
Computed Properties
- Exact Mass: 247.05297
Experimental Properties
- Density: 1.51±0.1 g/cm3(Predicted)
- Boiling Point: 606.3±63.0 °C(Predicted)
- PSA: 107.78
- pka: 3.46±0.10(Predicted)
3-Pyridinecarbothioic acid, S-(4,6-diamino-2-pyrimidinyl) ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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