Home Other Building Blocks Methanone, (4-isothiocyanatophenyl)phenyl-

Methanone, (4-isothiocyanatophenyl)phenyl-

CAS No.:
26328-59-6
Catalog Number:
AG002SS0
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
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Product Description
Catalog Number:
AG002SS0
Chemical Name:
Methanone, (4-isothiocyanatophenyl)phenyl-
CAS Number:
26328-59-6
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
MDL Number:
MFCD00467625
IUPAC Name:
(4-isothiocyanatophenyl)-phenylmethanone
InChI:
InChI=1S/C14H9NOS/c16-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)15-10-17/h1-9H
InChI Key:
FMSYGGOEIOBUOR-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties