C1=CC=C(C(=C1)C#N)S
CAS: 112365-71-6
Nombre: 2-sulfanylbenzonitrile
SMILES: C1=CC=C(C(=C1)C#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: AOYOBWSGCQMROU-UHFFFAOYSA-N
Sinónimos
2-sulfanylbenzonitrile2-mercaptobenzonitrile112365-71-6DTXSID50452010RefChem:474035DTXCID60402829815-924-734761-11-02-mercapto-benzonitrileMFCD111555702-cyanobenzenethiolcyanothiophenolSCHEMBL100731SCHEMBL596464SCHEMBL30338255AOYOBWSGCQMROU-UHFFFAOYSA-NAKOS000261477AT20892BS-13059SY335386DB-347188CS-0209230EN300-85312F637094
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