CC1=C(OC(=C1)C2=NC(=S)NN2)C
Name: 5-(4,5-dimethylfuran-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILES: CC1=C(OC(=C1)C2=NC(=S)NN2)C

Molecular Processing

Molecular formula
C8H9N3OS
Molecular weight
195.25
Exact mass
195.0466
XLogP
2.34
TPSA
57.61
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
50.95

Supplementary Information

InChIKey: PQEHSSUVFSDCQU-UHFFFAOYSA-N
Synonyme
SCHEMBL5506074PQEHSSUVFSDCQU-UHFFFAOYSA-N5-(4,5-dimethylfuran-2-yl)-2H-1,2,4-triazole-3(4H)-thione
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