sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3,5-Bis(trifluoromethyl)phenyl isothiocyanate

3,5-Bis(trifluoromethyl)phenyl isothiocyanate

CAS No.:
23165-29-9
Catalog Number:
AG002MF9
Molecular Formula:
C9H3F6NS
Molecular Weight:
271.1822
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$73
- +
100g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG002MF9
Chemical Name:
3,5-Bis(trifluoromethyl)phenyl isothiocyanate
CAS Number:
23165-29-9
Molecular Formula:
C9H3F6NS
Molecular Weight:
271.1822
MDL Number:
MFCD00040838
IUPAC Name:
1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI Key:
FXOSSGVJGGNASE-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.989g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.18g/mol
Monoisotopic Mass:
270.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
Self-assembled monolayers of aromatic omega-aminothiols on gold: surface chemistry and reactivity. Langmuir : the ACS journal of surfaces and colloids 20100316
Determination of accessible amino groups on surfaces by chemical derivatization with 3,5-bis(trifluoromethyl)phenyl isothiocyanate and XPS/NEXAFS analysis. Analytical and bioanalytical chemistry 20100101
1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-(2-pyrid-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20080501
The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas. Beilstein journal of organic chemistry 20070101
Properties