C1=CC(=CC=C1C#N)S
CAS: 36801-01-1
Nom: 4-sulfanylbenzonitrile
SMILES: C1=CC(=CC=C1C#N)S

Molecular Processing

Molecular formula
C7H5NS
Molecular weight
135.19
Exact mass
135.0143
XLogP
1.85
TPSA
23.79
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.41

Supplementary Information

InChIKey: MVPUXVBBHWUOFS-UHFFFAOYSA-N
Synonymes
4-ThiobenzonitrileRefChem:527013813-133-14-mercaptobenzonitrile36801-01-14-Sulfanylbenzonitrile4-CyanothiophenolMFCD002723544-cyanobenzenethiolBenzonitrile, 4-mercapto-p-cyanothiophenol4-mercapto-benzonitrile4-Sulfanylbenzonitrile #SCHEMBL487363SCHEMBL513615DTXSID60342852CS-D0524AKOS000218115FM00411SY128210DB-006852EN300-45156F31167F499002
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→