Home Nitriles [(4-amino-3,5-diethylphenyl)sulfanyl]formonitrile

[(4-amino-3,5-diethylphenyl)sulfanyl]formonitrile

CAS No.:
127483-68-5
Catalog Number:
AG019ILO
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
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Product Description
Catalog Number:
AG019ILO
Chemical Name:
[(4-amino-3,5-diethylphenyl)sulfanyl]formonitrile
CAS Number:
127483-68-5
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD04619542
IUPAC Name:
(4-amino-3,5-diethylphenyl) thiocyanate
InChI:
InChI=1S/C11H14N2S/c1-3-8-5-10(14-7-12)6-9(4-2)11(8)13/h5-6H,3-4,13H2,1-2H3
InChI Key:
VEJZYNJKGCWYKE-UHFFFAOYSA-N
SMILES:
CCc1cc(SC#N)cc(c1N)CC
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties