N-(1-benzofuran-3-ylsulfanyl)hydroxylamine

C8H7NO2S — CID 137418100

IUPACN-(1-benzofuran-3-ylsulfanyl)hydroxylamine
SMILESONSc1coc2ccccc12
InChIInChI=1S/C8H7NO2S/c10-9-12-8-5-11-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKeyJYXSBLFFKQPJPP-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.42
Rot. Bonds2

About N-(1-benzofuran-3-ylsulfanyl)hydroxylamine

N-(1-benzofuran-3-ylsulfanyl)hydroxylamine (PubChem CID 137418100) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylsulfanyl)hydroxylamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylsulfanyl)hydroxylamine
PubChem CID137418100
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC NameN-(1-benzofuran-3-ylsulfanyl)hydroxylamine
SMILESONSc1coc2ccccc12
InChIInChI=1S/C8H7NO2S/c10-9-12-8-5-11-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKeyJYXSBLFFKQPJPP-UHFFFAOYSA-N
XLogP2.42
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzofuran-3-ylsulfanyl)ethanol
CID 116852716
1-benzofuran-3-amine
CID 18373424
N-(1-benzofuran-3-yl)-1-benzofuran-3-amine
CID 53410322
1-benzofuran-3-ol;methane
CID 175138306
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
3-[(2-ethylimidazol-1-yl)methylsulfanyl]chromen-4-one
CID 67928696
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
3-benzhydryl-1-benzofuran
CID 53493031
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
(2R)-2-(1-benzofuran-3-ylamino)propanoic acid
CID 142768973
benzene;3-hydroxychromen-4-one
CID 175480795

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylsulfanyl)hydroxylamine?
The IUPAC name of N-(1-benzofuran-3-ylsulfanyl)hydroxylamine (CID 137418100) is N-(1-benzofuran-3-ylsulfanyl)hydroxylamine.
What is the SMILES notation for N-(1-benzofuran-3-ylsulfanyl)hydroxylamine?
The canonical SMILES for N-(1-benzofuran-3-ylsulfanyl)hydroxylamine is ONSc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylsulfanyl)hydroxylamine?
The InChIKey is JYXSBLFFKQPJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-9-12-8-5-11-7-4-2-1-3-6(7)8/h1-5,9-10H.
What are the key properties of N-(1-benzofuran-3-ylsulfanyl)hydroxylamine?
N-(1-benzofuran-3-ylsulfanyl)hydroxylamine has a molecular weight of 181.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylsulfanyl)hydroxylamine is sourced from PubChem (CID 137418100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).