Home Halogens 1-(bromomethyl)-3-(methylsulfanyl)benzene

1-(bromomethyl)-3-(methylsulfanyl)benzene

CAS No.:
90532-01-7
Catalog Number:
AG01B2RY
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
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Product Description
Catalog Number:
AG01B2RY
Chemical Name:
1-(bromomethyl)-3-(methylsulfanyl)benzene
CAS Number:
90532-01-7
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
MDL Number:
MFCD24464838
IUPAC Name:
1-(bromomethyl)-3-methylsulfanylbenzene
InChI:
InChI=1S/C8H9BrS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3
InChI Key:
KXQGNTFIGUJDAS-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)SC
Properties
Complexity:
95.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.961g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.124g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties