Home Other Building Blocks BENZHYDRYL ISOTHIOCYANATE

BENZHYDRYL ISOTHIOCYANATE

CAS No.:
3550-21-8
Catalog Number:
AG003O1A
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003O1A
Chemical Name:
BENZHYDRYL ISOTHIOCYANATE
CAS Number:
3550-21-8
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD00046815
IUPAC Name:
[isothiocyanato(phenyl)methyl]benzene
InChI:
InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChI Key:
WDOSFTZMBFYTED-UHFFFAOYSA-N
SMILES:
S=C=NC(c1ccccc1)c1ccccc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties