C1=CC(=CN=C1)C2=NSN=C2SCCCCCC#N
Nombre: 6-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)sulfanyl]hexanenitrile
SMILES: C1=CC(=CN=C1)C2=NSN=C2SCCCCCC#N

Molecular Processing

Molecular formula
C13H14N4S2
Molecular weight
290.42
Exact mass
290.066
XLogP
3.78
TPSA
62.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
77.95

Supplementary Information

InChIKey: LSVRBYGDJATZKX-UHFFFAOYSA-N
Sinónimos
SCHEMBL7465627LSVRBYGDJATZKX-UHFFFAOYSA-N3-(3-(5-cyanopentylthio)-1,2,5-thiadiazol-4-yl)pyridine3-(3-(5--Cyanopentylthio)-1,2,5-thiadiazol-4-yl)pyridine
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