C1COC2=C1C=C(C=C2)C3=NNC(=S)O3
Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILES: C1COC2=C1C=C(C=C2)C3=NNC(=S)O3

Molecular Processing

Molecular formula
C10H8N2O2S
Molecular weight
220.25
Exact mass
220.0306
XLogP
2.33
TPSA
51.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.32

Supplementary Information

InChIKey: ICQYKJPVCLQHCF-UHFFFAOYSA-N
Synonyme
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-thiolSCHEMBL1395948ICQYKJPVCLQHCF-UHFFFAOYSA-NAKOS0114825275-(2,3-Dihydro-benzofuran-5-yl)-[1,3,4]oxadiazole-2-thiol
Quelle anzeigen →
An 19 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→