Home Halogens 3-bromothioanisole

3-bromothioanisole

CAS No.:
33733-73-2
Catalog Number:
AG003J5B
Molecular Formula:
C7H7BrS
Molecular Weight:
203.0995
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$25
- +
25g
95%
In Stock USA
United States
$75
- +
100g
95%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003J5B
Chemical Name:
3-bromothioanisole
CAS Number:
33733-73-2
Molecular Formula:
C7H7BrS
Molecular Weight:
203.0995
MDL Number:
MFCD00041395
IUPAC Name:
1-bromo-3-methylsulfanylbenzene
InChI:
InChI=1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
NKYFJZAKUPSUSH-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)Br
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.945g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.097g/mol
Monoisotopic Mass:
201.945g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties