Home Other Building Blocks 3-Benzyloxyphenyl isothiocyanate

3-Benzyloxyphenyl isothiocyanate

CAS No.:
206559-36-6
Catalog Number:
AG002IJ7
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$91
- +
5g
98%(GC)
In Stock USA
United States
$344
- +
10g
98%(GC)
In Stock USA
United States
$658
- +
25g
98%(GC)
In Stock USA
United States
$1394
- +
Product Description
Catalog Number:
AG002IJ7
Chemical Name:
3-Benzyloxyphenyl isothiocyanate
CAS Number:
206559-36-6
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD00060374
IUPAC Name:
1-isothiocyanato-3-phenylmethoxybenzene
InChI:
InChI=1S/C14H11NOS/c17-11-15-13-7-4-8-14(9-13)16-10-12-5-2-1-3-6-12/h1-9H,10H2
InChI Key:
QJLFNDXMZQJMDL-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)OCc1ccccc1
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties