Home Halogens 5-bromo-2-(methylsulfanyl)aniline

5-bromo-2-(methylsulfanyl)aniline

CAS No.:
139192-88-4
Catalog Number:
AG01DYQ7
Molecular Formula:
C7H8BrNS
Molecular Weight:
218.1141
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Product Description
Catalog Number:
AG01DYQ7
Chemical Name:
5-bromo-2-(methylsulfanyl)aniline
CAS Number:
139192-88-4
Molecular Formula:
C7H8BrNS
Molecular Weight:
218.1141
MDL Number:
MFCD11636918
IUPAC Name:
5-bromo-2-methylsulfanylaniline
InChI:
InChI=1S/C7H8BrNS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3
InChI Key:
SYCSDMMOTOYBQS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1N)Br
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.956g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.112g/mol
Monoisotopic Mass:
216.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties