Home Halogens Methyl 5-bromo-2-(methylthio)benzoate

Methyl 5-bromo-2-(methylthio)benzoate

CAS No.:
929000-14-6
Catalog Number:
AG006KCV
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$82
- +
5g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG006KCV
Chemical Name:
Methyl 5-bromo-2-(methylthio)benzoate
CAS Number:
929000-14-6
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
MDL Number:
MFCD09258758
IUPAC Name:
methyl 5-bromo-2-methylsulfanylbenzoate
InChI:
InChI=1S/C9H9BrO2S/c1-12-9(11)7-5-6(10)3-4-8(7)13-2/h3-5H,1-2H3
InChI Key:
AUJZLQVDLUTYLJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1SC
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties