N-(furan-3-ylmethyl)thiohydroxylamine

C5H7NOS — CID 59695183

IUPACN-(furan-3-ylmethyl)thiohydroxylamine
SMILESSNCc1ccoc1
InChIInChI=1S/C5H7NOS/c8-6-3-5-1-2-7-4-5/h1-2,4,6,8H,3H2
InChIKeyBMKPUCRENOIZSA-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.21
Rot. Bonds2

About N-(furan-3-ylmethyl)thiohydroxylamine

N-(furan-3-ylmethyl)thiohydroxylamine (PubChem CID 59695183) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)thiohydroxylamine
PubChem CID59695183
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC NameN-(furan-3-ylmethyl)thiohydroxylamine
SMILESSNCc1ccoc1
InChIInChI=1S/C5H7NOS/c8-6-3-5-1-2-7-4-5/h1-2,4,6,8H,3H2
InChIKeyBMKPUCRENOIZSA-UHFFFAOYSA-N
XLogP1.21
TPSA25.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)thiohydroxylamine?
The IUPAC name of N-(furan-3-ylmethyl)thiohydroxylamine (CID 59695183) is N-(furan-3-ylmethyl)thiohydroxylamine.
What is the SMILES notation for N-(furan-3-ylmethyl)thiohydroxylamine?
The canonical SMILES for N-(furan-3-ylmethyl)thiohydroxylamine is SNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)thiohydroxylamine?
The InChIKey is BMKPUCRENOIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c8-6-3-5-1-2-7-4-5/h1-2,4,6,8H,3H2.
What are the key properties of N-(furan-3-ylmethyl)thiohydroxylamine?
N-(furan-3-ylmethyl)thiohydroxylamine has a molecular weight of 129.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)thiohydroxylamine is sourced from PubChem (CID 59695183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).