N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine

C14H13NOS — CID 2740305

IUPACN-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-11(15-16)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,1H3
InChIKeyFRLTZFRFAWAIJF-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.04
Rot. Bonds3

About N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine

N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine (PubChem CID 2740305) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine
PubChem CID2740305
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C14H13NOS/c1-11(15-16)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,1H3
InChIKeyFRLTZFRFAWAIJF-UHFFFAOYSA-N
XLogP4.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine (CID 2740305) is N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine is CC(=NO)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine?
The InChIKey is FRLTZFRFAWAIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-11(15-16)12-7-9-14(10-8-12)17-13-5-3-2-4-6-13/h2-10,16H,1H3.
What are the key properties of N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine?
N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine has a molecular weight of 243.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylsulfanylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 2740305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).