N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine

C5H9NS — CID 154039467

IUPACN-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine
SMILESC/C=C\C(C)=NS
InChIInChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/b4-3-,6-5?
InChIKeyQDXJUERMAVQWNH-KWRQCDRVSA-N
MW115.20 g/mol
LogP1.87
Rot. Bonds1

About N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine

N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine (PubChem CID 154039467) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine.

Molecular Properties

Compound NameN-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine
PubChem CID154039467
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine
SMILESC/C=C\C(C)=NS
InChIInChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/b4-3-,6-5?
InChIKeyQDXJUERMAVQWNH-KWRQCDRVSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine?
The IUPAC name of N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine (CID 154039467) is N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine.
What is the SMILES notation for N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine?
The canonical SMILES for N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine is C/C=C\C(C)=NS.
What is the InChIKey of N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine?
The InChIKey is QDXJUERMAVQWNH-KWRQCDRVSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-4-5(2)6-7/h3-4,7H,1-2H3/b4-3-,6-5?.
What are the key properties of N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine?
N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine has a molecular weight of 115.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-3-en-2-ylidene]thiohydroxylamine is sourced from PubChem (CID 154039467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).