N-(oxan-4-ylidene)thiohydroxylamine

C5H9NOS — CID 130179635

IUPACN-(oxan-4-ylidene)thiohydroxylamine
SMILESSN=C1CCOCC1
InChIInChI=1S/C5H9NOS/c8-6-5-1-3-7-4-2-5/h8H,1-4H2
InChIKeyZGPCMDFFLOEIKJ-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.08
Rot. Bonds

About N-(oxan-4-ylidene)thiohydroxylamine

N-(oxan-4-ylidene)thiohydroxylamine (PubChem CID 130179635) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is N-(oxan-4-ylidene)thiohydroxylamine.

Molecular Properties

Compound NameN-(oxan-4-ylidene)thiohydroxylamine
PubChem CID130179635
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameN-(oxan-4-ylidene)thiohydroxylamine
SMILESSN=C1CCOCC1
InChIInChI=1S/C5H9NOS/c8-6-5-1-3-7-4-2-5/h8H,1-4H2
InChIKeyZGPCMDFFLOEIKJ-UHFFFAOYSA-N
XLogP1.08
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylidene)thiohydroxylamine?
The IUPAC name of N-(oxan-4-ylidene)thiohydroxylamine (CID 130179635) is N-(oxan-4-ylidene)thiohydroxylamine.
What is the SMILES notation for N-(oxan-4-ylidene)thiohydroxylamine?
The canonical SMILES for N-(oxan-4-ylidene)thiohydroxylamine is SN=C1CCOCC1.
What is the InChIKey of N-(oxan-4-ylidene)thiohydroxylamine?
The InChIKey is ZGPCMDFFLOEIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c8-6-5-1-3-7-4-2-5/h8H,1-4H2.
What are the key properties of N-(oxan-4-ylidene)thiohydroxylamine?
N-(oxan-4-ylidene)thiohydroxylamine has a molecular weight of 131.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylidene)thiohydroxylamine is sourced from PubChem (CID 130179635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).