Home Other Building Blocks 1-Bromo-4-butylthiobenzene

1-Bromo-4-butylthiobenzene

CAS No.:
121392-35-6
Catalog Number:
AG003E4S
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003E4S
Chemical Name:
1-Bromo-4-butylthiobenzene
CAS Number:
121392-35-6
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD12546517
IUPAC Name:
1-bromo-4-butylsulfanylbenzene
InChI:
InChI=1S/C10H13BrS/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3
InChI Key:
CYFJLXXVMAJKNN-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1)Br
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.992g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.178g/mol
Monoisotopic Mass:
243.992g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties