Home Other Building Blocks 6-PHENOXY-3-PYRIDINYL ISOTHIOCYANATE

6-PHENOXY-3-PYRIDINYL ISOTHIOCYANATE

CAS No.:
52024-70-1
Catalog Number:
AG00DCZX
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
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Product Description
Catalog Number:
AG00DCZX
Chemical Name:
6-PHENOXY-3-PYRIDINYL ISOTHIOCYANATE
CAS Number:
52024-70-1
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
MDL Number:
MFCD03086118
IUPAC Name:
5-isothiocyanato-2-phenoxypyridine
InChI:
InChI=1S/C12H8N2OS/c16-9-14-10-6-7-12(13-8-10)15-11-4-2-1-3-5-11/h1-8H
InChI Key:
YGSFMZIJHMEICM-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(nc1)Oc1ccccc1
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties