Home Other Building Blocks 1-(2-Bromophenyl)-3-methylthiourea

1-(2-Bromophenyl)-3-methylthiourea

CAS No.:
52599-27-6
Catalog Number:
AG003CTK
Molecular Formula:
C8H9BrN2S
Molecular Weight:
245.1395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003CTK
Chemical Name:
1-(2-Bromophenyl)-3-methylthiourea
CAS Number:
52599-27-6
Molecular Formula:
C8H9BrN2S
Molecular Weight:
245.1395
MDL Number:
MFCD06629750
IUPAC Name:
1-(2-bromophenyl)-3-methylthiourea
InChI:
InChI=1S/C8H9BrN2S/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChI Key:
AKOQJTGAEHJZSB-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccccc1Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.138g/mol
Monoisotopic Mass:
243.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties