Home Other Building Blocks 4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide

4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide

CAS No.:
20069-30-1
Catalog Number:
AG002CWW
Molecular Formula:
C8H8F3N3S
Molecular Weight:
235.2294
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG002CWW
Chemical Name:
4-[3-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
CAS Number:
20069-30-1
Molecular Formula:
C8H8F3N3S
Molecular Weight:
235.2294
MDL Number:
MFCD00041291
IUPAC Name:
1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)
InChI Key:
KDDAUQBQXBHUPJ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
235.228g/mol
Monoisotopic Mass:
235.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties