N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine

C14H10ClNO2S — CID 86744936

IUPACN-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)Sc1cc(Cl)ccc1O2
InChIInChI=1S/C14H10ClNO2S/c1-8(16-17)9-2-4-11-13(6-9)19-14-7-10(15)3-5-12(14)18-11/h2-7,17H,1H3
InChIKeyUREZTMBPVAZBIZ-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.80
Rot. Bonds1

About N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine

N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine (PubChem CID 86744936) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine
PubChem CID86744936
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC NameN-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)Sc1cc(Cl)ccc1O2
InChIInChI=1S/C14H10ClNO2S/c1-8(16-17)9-2-4-11-13(6-9)19-14-7-10(15)3-5-12(14)18-11/h2-7,17H,1H3
InChIKeyUREZTMBPVAZBIZ-UHFFFAOYSA-N
XLogP4.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine (CID 86744936) is N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine is CC(=NO)c1ccc2c(c1)Sc1cc(Cl)ccc1O2.
What is the InChIKey of N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine?
The InChIKey is UREZTMBPVAZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c1-8(16-17)9-2-4-11-13(6-9)19-14-7-10(15)3-5-12(14)18-11/h2-7,17H,1H3.
What are the key properties of N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine?
N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine has a molecular weight of 291.76 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-chlorophenoxathiin-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 86744936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).