Home Other Building Blocks 5-Fluoro-2-methylphenyl isothiocyanate

5-Fluoro-2-methylphenyl isothiocyanate

CAS No.:
175205-39-7
Catalog Number:
AG0020O0
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(T)
1 week
United States
$141
- +
25g
>98.0%(GC)(T)
1 week
United States
$349
- +
Product Description
Catalog Number:
AG0020O0
Chemical Name:
5-Fluoro-2-methylphenyl isothiocyanate
CAS Number:
175205-39-7
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00046800
IUPAC Name:
4-fluoro-2-isothiocyanato-1-methylbenzene
InChI:
InChI=1S/C8H6FNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI Key:
QVCYTKXGZLOVFA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N=C=S)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties