2-[(5-Bromopyrimidin-2-yl)thio]aniline

Base Information

• Chemical Name: 2-[(5-Bromopyrimidin-2-yl)thio]aniline
• CAS No.: 849021-43-8
• Molecular Formula: C10H8 Br N3 S
• Molecular Weight: 282.16
• Hs Code.: 2933599590
• European Community (EC) Number: 814-117-7
• DSSTox Substance ID: DTXSID50375497
• Wikidata: Q82164040
• Mol file: 849021-43-8.mol

Synonyms:849021-43-8;2-[(5-Bromopyrimidin-2-yl)thio]aniline;2-[2-(aminophenyl)thio]-5-bromopyrimidine;2-((5-Bromopyrimidin-2-yl)thio)aniline;2-(5-bromopyrimidin-2-yl)sulfanylaniline;2-(5-bromopyrimidin-2-yl)thio]aniline;2-(5-bromopyrimidin-2-ylthio)aniline;DTXSID50375497;MFCD03426068;AKOS009158759;SB58371;FT-0676548

Chemical Property of 2-[(5-Bromopyrimidin-2-yl)thio]aniline

Chemical Property:

• Melting Point: 131～133℃
• Boiling Point: 462.6±51.0 °C(Predicted)
• PKA: 2.08±0.10(Predicted)
• PSA: 77.10000
• Density: 1.69±0.1 g/cm3(Predicted)
• LogP: 3.55370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 280.96223
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

2-[2-(Aminophenyl)thio]-5-bromopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)SC2=NC=C(C=N2)Br