Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C12H16N4OS | Cheminformatics

(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea

Molecular Formula : C12H16N4OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea is a drug-like molecule.

MolName : (1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea

MolecularFormula : C12H16N4OS

Smiles : N/C(/N1CCOCC1)=N/C(Nc1ccccc1)=S

InChI : InChI=1S/C12H16N4OS/c13-11(16-6-8-17-9-7-16)15-12(18)14-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,18)

InChIK : PYSKTZUZFVTLGK-UHFFFAOYSA-N

TotalMolweight : 264.352

Molweight : 264.352

MonoisotopicMass : 264.104481

CLogP : 1.2851

CLogS : -2.527

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 210.76

Relative PSA : 0.37858

PolarSurfaceArea : 94.97

Druglikeness : 1.4016

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 4

BasicNitrogens : 1

StereoCon :

Request More Details | (1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea


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