N-sulfanyloxyaniline

C6H7NOS — CID 141339499

IUPACN-sulfanyloxyaniline
SMILESSONc1ccccc1
InChIInChI=1S/C6H7NOS/c9-8-7-6-4-2-1-3-5-6/h1-5,7,9H
InChIKeyWGLAOXVMNSCCCG-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.87
Rot. Bonds2

About N-sulfanyloxyaniline

N-sulfanyloxyaniline (PubChem CID 141339499) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-sulfanyloxyaniline.

Molecular Properties

Compound NameN-sulfanyloxyaniline
PubChem CID141339499
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-sulfanyloxyaniline
SMILESSONc1ccccc1
InChIInChI=1S/C6H7NOS/c9-8-7-6-4-2-1-3-5-6/h1-5,7,9H
InChIKeyWGLAOXVMNSCCCG-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 59264345
CID 59264345
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N-diethoxyphosphanylaniline
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Frequently Asked Questions

What is the IUPAC name of N-sulfanyloxyaniline?
The IUPAC name of N-sulfanyloxyaniline (CID 141339499) is N-sulfanyloxyaniline.
What is the SMILES notation for N-sulfanyloxyaniline?
The canonical SMILES for N-sulfanyloxyaniline is SONc1ccccc1.
What is the InChIKey of N-sulfanyloxyaniline?
The InChIKey is WGLAOXVMNSCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c9-8-7-6-4-2-1-3-5-6/h1-5,7,9H.
What are the key properties of N-sulfanyloxyaniline?
N-sulfanyloxyaniline has a molecular weight of 141.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanyloxyaniline is sourced from PubChem (CID 141339499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).