2-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxyethanimidamide

Formula:C11H14N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxyethanimidamide is a drug-like molecule.

MolName2-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxyethanimidamide
MolecularFormulaC11H14N2O2S2
SmilesN/C(/COc1ccc(C2SCCS2)cc1)=N/O
InChIInChI=1S/C11H14N2O2S2/c12-10(13-14)7-15-9-3-1-8(2-4-9)11-16-5-6-17-11/h1-4,11,14H,5-7H2,(H2,12,13)
InChIKGEOIYFLEWGZJBK-UHFFFAOYSA-N
TotalMolweight270.376
Molweight270.376
MonoisotopicMass270.049668
CLogP1.5668
CLogS-3.017
H Acceptors4
H Donors2
TotalSurfaceArea196.36
Relative PSA0.43217
PolarSurfaceArea118.44
Druglikeness-4.2686
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms4
StereoCon

Request More Details | 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxyethanimidamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments