(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine

C14H12FNOS — CID 71459031

IUPAC(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H12FNOS/c15-12-6-4-5-11(9-12)14(16-17)10-18-13-7-2-1-3-8-13/h1-9,17H,10H2/b16-14+
InChIKeyXXFOBGGNLBSZDC-JQIJEIRASA-N
MW261.32 g/mol
LogP3.80
Rot. Bonds4

About (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine

(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine (PubChem CID 71459031) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine
PubChem CID71459031
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H12FNOS/c15-12-6-4-5-11(9-12)14(16-17)10-18-13-7-2-1-3-8-13/h1-9,17H,10H2/b16-14+
InChIKeyXXFOBGGNLBSZDC-JQIJEIRASA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4H-1-Benzothiopyran-4-one, 2,3-dihydro-, oxime
CID 85919
6-fluoro-3,4-dihydro-2H-1-benzothiin-4-one oxime
CID 9580658
N-[(5Z)-2,3,4,5-tetrahydro-1-benzothiepin-5-ylidene]hydroxylamine
CID 5400233
Ketone, phenyl 2-thienyl, oxime
CID 9570619
2,3-dihydro-4H-thiochromen-4-one oxime 1-oxide
CID 9616092
(NE)-N-(2-phenyl-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
CID 9584095
(NZ)-N-[1-(3,5-ditert-butylphenyl)-2-phenylsulfanylethylidene]hydroxylamine
CID 71451833
(2E)-N-Hydroxy-1-[4-(methylsulfanyl)phenyl]-2-propanimine
CID 44613196
N-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
CID 2741228
Thiochroman-4-one, oxime
CID 5381005
(4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine
CID 5703560
Thiochroman-4-one oxime
CID 9562244

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine (CID 71459031) is (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine is O/N=C(\CSc1ccccc1)c1cccc(F)c1.
What is the InChIKey of (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine?
The InChIKey is XXFOBGGNLBSZDC-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12FNOS/c15-12-6-4-5-11(9-12)14(16-17)10-18-13-7-2-1-3-8-13/h1-9,17H,10H2/b16-14+.
What are the key properties of (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine?
(NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine has a molecular weight of 261.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-fluorophenyl)-2-phenylsulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71459031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).