S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine

C14H9F3N2OS — CID 15264835

IUPACS-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine
SMILESNS/N=C(/c1ccc2oc3ccccc3c2c1)C(F)(F)F
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13(19-21-18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)20-12/h1-7H,18H2/b19-13-
InChIKeyIUOOZJPHJAYHJP-UYRXBGFRSA-N
MW310.30 g/mol
LogP4.46
Rot. Bonds2

About S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine

S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine (PubChem CID 15264835) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine.

Molecular Properties

Compound NameS-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine
PubChem CID15264835
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC NameS-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine
SMILESNS/N=C(/c1ccc2oc3ccccc3c2c1)C(F)(F)F
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13(19-21-18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)20-12/h1-7H,18H2/b19-13-
InChIKeyIUOOZJPHJAYHJP-UYRXBGFRSA-N
XLogP4.46
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-prop-1-en-2-yldibenzofuran
CID 142504770
dibenzofuran-2-carboximidamide;hydrochloride
CID 156828195
[4-dibenzofuran-2-yl-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoyl] 4-dibenzofuran-2-yl-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 57262069
N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
CID 18876143
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
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
methyl dibenzofuran-2-carboxylate
CID 3702628
dibenzofuran-2-amine
CID 19405
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
CID 142505018
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735

Frequently Asked Questions

What is the IUPAC name of S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine?
The IUPAC name of S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine (CID 15264835) is S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine.
What is the SMILES notation for S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine?
The canonical SMILES for S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine is NS/N=C(/c1ccc2oc3ccccc3c2c1)C(F)(F)F.
What is the InChIKey of S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine?
The InChIKey is IUOOZJPHJAYHJP-UYRXBGFRSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)13(19-21-18)8-5-6-12-10(7-8)9-3-1-2-4-11(9)20-12/h1-7H,18H2/b19-13-.
What are the key properties of S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine?
S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine has a molecular weight of 310.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(Z)-(1-dibenzofuran-2-yl-2,2,2-trifluoroethylidene)amino]thiohydroxylamine is sourced from PubChem (CID 15264835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).