Home Other Building Blocks 1-Bromo-3-isobutylthiobenzene

1-Bromo-3-isobutylthiobenzene

CAS No.:
1199773-06-2
Catalog Number:
AG000PWM
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG000PWM
Chemical Name:
1-Bromo-3-isobutylthiobenzene
CAS Number:
1199773-06-2
Molecular Formula:
C10H13BrS
Molecular Weight:
245.1792
MDL Number:
MFCD13195735
IUPAC Name:
1-bromo-3-(2-methylpropylsulfanyl)benzene
InChI:
InChI=1S/C10H13BrS/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3
InChI Key:
YMZQKZSYYUVQLE-UHFFFAOYSA-N
SMILES:
CC(CSc1cccc(c1)Br)C
Properties
Complexity:
125  
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:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties