Home Other Building Blocks 4-Morpholinophenyl isothiocyanate

4-Morpholinophenyl isothiocyanate

CAS No.:
51317-66-9
Catalog Number:
AG00DCSF
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
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Product Description
Catalog Number:
AG00DCSF
Chemical Name:
4-Morpholinophenyl isothiocyanate
CAS Number:
51317-66-9
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD00047409
IUPAC Name:
4-(4-isothiocyanatophenyl)morpholine
InChI:
InChI=1S/C11H12N2OS/c15-9-12-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChI Key:
AXUXRZZYZBZQAR-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)N1CCOCC1
NSC Number:
13703
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties