CSC1=C(C(=S)NC(=C1C#N)N)C#N
Name: 2-amino-4-methylsulfanyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILES: CSC1=C(C(=S)NC(=C1C#N)N)C#N

Molecular Processing

Molecular formula
C8H6N4S2
Molecular weight
222.3
Exact mass
222.0034
XLogP
1.79
TPSA
89.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.25

Supplementary Information

InChIKey: MTXHTSWJCCMDRH-UHFFFAOYSA-N
Synonyme
Maybridge1_006315SCHEMBL381580SCHEMBL29658422HMS559H01MTXHTSWJCCMDRH-UHFFFAOYSA-NCCG-40625STL333691AKOS003678158NS00016202SR-01000630754-12-Amino-6-mercapto-4-(methylthio)pyridine-3,5-dicarbonitrile6-amino-4-(methylsulfanyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile6-amino-4-(methylthio)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
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