Home Halogens 2-bromo-4-methylbenzene-1-carbothioamide

2-bromo-4-methylbenzene-1-carbothioamide

CAS No.:
1208076-70-3
Catalog Number:
AG01BS7C
Molecular Formula:
C8H8BrNS
Molecular Weight:
230.1248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$100
- +
Product Description
Catalog Number:
AG01BS7C
Chemical Name:
2-bromo-4-methylbenzene-1-carbothioamide
CAS Number:
1208076-70-3
Molecular Formula:
C8H8BrNS
Molecular Weight:
230.1248
MDL Number:
MFCD09025668
IUPAC Name:
2-bromo-4-methylbenzenecarbothioamide
InChI:
InChI=1S/C8H8BrNS/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
InChI Key:
WNQWLMFOTBKNTH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)C(=S)N
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.956g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.123g/mol
Monoisotopic Mass:
228.956g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties