Home Other Building Blocks 2-Mercapto-5-trifluoromethoxybenzothiazole

2-Mercapto-5-trifluoromethoxybenzothiazole

CAS No.:
155559-82-3
Catalog Number:
AG001NZY
Molecular Formula:
C8H4F3NOS2
Molecular Weight:
251.2487
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG001NZY
Chemical Name:
2-Mercapto-5-trifluoromethoxybenzothiazole
CAS Number:
155559-82-3
Molecular Formula:
C8H4F3NOS2
Molecular Weight:
251.2487
MDL Number:
MFCD13195694
IUPAC Name:
5-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H4F3NOS2/c9-8(10,11)13-4-1-2-6-5(3-4)12-7(14)15-6/h1-3H,(H,12,14)
InChI Key:
FDHNATDQODTQBI-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)cc(cc2)OC(F)(F)F
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.969g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
250.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties