(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine

C14H11NOS — CID 170789515

IUPAC(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
SMILESC/C(=N\S)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C14H11NOS/c1-9(15-17)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-8,17H,1H3/b15-9+
InChIKeyUXBITXNRWPUBBL-OQLLNIDSSA-N
MW241.31 g/mol
LogP4.24
Rot. Bonds1

About (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine

(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine (PubChem CID 170789515) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
PubChem CID170789515
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
SMILESC/C(=N\S)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C14H11NOS/c1-9(15-17)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-8,17H,1H3/b15-9+
InChIKeyUXBITXNRWPUBBL-OQLLNIDSSA-N
XLogP4.24
TPSA25.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzofuran-3-carboxylate
CID 51860493
1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
CID 167072413
1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
CID 167072457
N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-prop-1-en-2-yldibenzofuran
CID 142504770
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine?
The IUPAC name of (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine (CID 170789515) is (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine.
What is the SMILES notation for (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine?
The canonical SMILES for (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine is C/C(=N\S)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine?
The InChIKey is UXBITXNRWPUBBL-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9(15-17)10-6-7-12-11-4-2-3-5-13(11)16-14(12)8-10/h2-8,17H,1H3/b15-9+.
What are the key properties of (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine?
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine has a molecular weight of 241.31 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine is sourced from PubChem (CID 170789515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).