Home Halogens 5-bromo-2-(tert-butylsulfanyl)pyridine

5-bromo-2-(tert-butylsulfanyl)pyridine

CAS No.:
123792-40-5
Catalog Number:
AG019U4W
Molecular Formula:
C9H12BrNS
Molecular Weight:
246.1673
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Product Description
Catalog Number:
AG019U4W
Chemical Name:
5-bromo-2-(tert-butylsulfanyl)pyridine
CAS Number:
123792-40-5
Molecular Formula:
C9H12BrNS
Molecular Weight:
246.1673
MDL Number:
MFCD14652070
IUPAC Name:
5-bromo-2-tert-butylsulfanylpyridine
InChI:
InChI=1S/C9H12BrNS/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChI Key:
MTOBPQULIUQTEF-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)SC(C)(C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.987g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.166g/mol
Monoisotopic Mass:
244.987g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties