Home Halogens 1-benzylsulfanyl-3-bromo-2-ethylbenzene

1-benzylsulfanyl-3-bromo-2-ethylbenzene

CAS No.:
1182728-08-0
Catalog Number:
AG01DJL9
Molecular Formula:
C15H15BrS
Molecular Weight:
307.2486
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Product Description
Catalog Number:
AG01DJL9
Chemical Name:
1-benzylsulfanyl-3-bromo-2-ethylbenzene
CAS Number:
1182728-08-0
Molecular Formula:
C15H15BrS
Molecular Weight:
307.2486
MDL Number:
MFCD27991904
IUPAC Name:
1-benzylsulfanyl-3-bromo-2-ethylbenzene
InChI:
InChI=1S/C15H15BrS/c1-2-13-14(16)9-6-10-15(13)17-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChI Key:
JCPOWISQIZSUQY-UHFFFAOYSA-N
SMILES:
CCc1c(cccc1Br)SCc1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.008g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.249g/mol
Monoisotopic Mass:
306.008g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties