Cas no 90153-59-6 (2-(butylsulfanyl)-6-chloropyrimidin-4-amine)
90153-59-6 structure
Product Name:2-(butylsulfanyl)-6-chloropyrimidin-4-amine
CAS No:90153-59-6
MF:C8H12ClN3S
MW:217.718978881836
CID:1948874
PubChem ID:478115
Update Time:2025-04-21
2-(butylsulfanyl)-6-chloropyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 2-(butylsulfanyl)-6-chloropyrimidin-4-amine
- 2-butylsulfanyl-6-chloropyrimidin-4-amine
- DTXSID00238048
- 4-Pyrimidinamine, 2-(butylthio)-6-chloro-
- 2-Butylsulfanyl-6-chloro-pyrimidin-4-ylamine
- 90153-59-6
- 2-butylsulfanyl-6-chloro-pyrimidin-4-amine
-
- Inchi： 1S/C8H12ClN3S/c1-2-3-4-13-8-11-6(9)5-7(10)12-8/h5H,2-4H2,1H3,(H2,10,11,12)
- InChI Key： POAIREIPSMXHRU-UHFFFAOYSA-N
- SMILES： ClC1C=C(N)N=C(N=1)SCCCC
Computed Properties
- Exact Mass: 217.044046
- Monoisotopic Mass: 217.044046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 147
- 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
- Topological Polar Surface Area: 77.1
- XLogP3: 2.9
Experimental Properties
- Density: 1.27
- Boiling Point: 364.1°C at 760 mmHg
- Flash Point: 174°C
- Refractive Index: 1.588
2-(butylsulfanyl)-6-chloropyrimidin-4-amine Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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