N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine

C8H9NOS — CID 2453624

IUPACN-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
SMILESCSc1ccc(C=NO)cc1
InChIInChI=1S/C8H9NOS/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3
InChIKeyTVMICSMBUZCYHJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.22
Rot. Bonds2

About N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine

N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine (PubChem CID 2453624) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
PubChem CID2453624
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameN-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
SMILESCSc1ccc(C=NO)cc1
InChIInChI=1S/C8H9NOS/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3
InChIKeyTVMICSMBUZCYHJ-UHFFFAOYSA-N
XLogP2.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.22
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-[(4-methylsulfanylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine (CID 2453624) is N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine is CSc1ccc(C=NO)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine?
The InChIKey is TVMICSMBUZCYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine?
N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine has a molecular weight of 167.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2453624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).