Home Halogens Ethyl 4-[(3‐bromophenyl)sulfanyl]butanoate

Ethyl 4-[(3‐bromophenyl)sulfanyl]butanoate

CAS No.:
740842-66-4
Catalog Number:
AG01FBEZ
Molecular Formula:
C12H15BrO2S
Molecular Weight:
303.2153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$350
- +
5g
97%
1 week
United States
$982
- +
25g
97%
1 week
United States
$2691
- +
Product Description
Catalog Number:
AG01FBEZ
Chemical Name:
Ethyl 4-[(3‐bromophenyl)sulfanyl]butanoate
CAS Number:
740842-66-4
Molecular Formula:
C12H15BrO2S
Molecular Weight:
303.2153
MDL Number:
MFCD26792640
IUPAC Name:
ethyl 4-(3-bromophenyl)sulfanylbutanoate
InChI:
InChI=1S/C12H15BrO2S/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3
InChI Key:
JDRGFVUVROZHAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCSc1cccc(c1)Br
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.998g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.214g/mol
Monoisotopic Mass:
301.998g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties