Home Other Building Blocks 1-(3,5-Bis(trifluoromethyl)phenyl)thiourea

1-(3,5-Bis(trifluoromethyl)phenyl)thiourea

CAS No.:
175277-17-5
Catalog Number:
AG0020SD
Molecular Formula:
C9H6F6N2S
Molecular Weight:
288.2128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$59
- +
5g
97%
1 week
United States
$114
- +
25g
97%
1 week
United States
$267
- +
Product Description
Catalog Number:
AG0020SD
Chemical Name:
1-(3,5-Bis(trifluoromethyl)phenyl)thiourea
CAS Number:
175277-17-5
Molecular Formula:
C9H6F6N2S
Molecular Weight:
288.2128
MDL Number:
MFCD00041172
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)
InChI Key:
CWRWOECVPKDZIC-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.016g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
288.211g/mol
Monoisotopic Mass:
288.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties