S-(4-aminophenyl)thiohydroxylamine

C6H8N2S — CID 57126015

IUPACS-(4-aminophenyl)thiohydroxylamine
SMILESNSc1ccc(N)cc1
InChIInChI=1S/C6H8N2S/c7-5-1-3-6(9-8)4-2-5/h1-4H,7-8H2
InChIKeyXKMOJKXNQSKXLA-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.23
Rot. Bonds1

About S-(4-aminophenyl)thiohydroxylamine

S-(4-aminophenyl)thiohydroxylamine (PubChem CID 57126015) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is S-(4-aminophenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-aminophenyl)thiohydroxylamine
PubChem CID57126015
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC NameS-(4-aminophenyl)thiohydroxylamine
SMILESNSc1ccc(N)cc1
InChIInChI=1S/C6H8N2S/c7-5-1-3-6(9-8)4-2-5/h1-4H,7-8H2
InChIKeyXKMOJKXNQSKXLA-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(4-aminophenyl)thiohydroxylamine?
The IUPAC name of S-(4-aminophenyl)thiohydroxylamine (CID 57126015) is S-(4-aminophenyl)thiohydroxylamine.
What is the SMILES notation for S-(4-aminophenyl)thiohydroxylamine?
The canonical SMILES for S-(4-aminophenyl)thiohydroxylamine is NSc1ccc(N)cc1.
What is the InChIKey of S-(4-aminophenyl)thiohydroxylamine?
The InChIKey is XKMOJKXNQSKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c7-5-1-3-6(9-8)4-2-5/h1-4H,7-8H2.
What are the key properties of S-(4-aminophenyl)thiohydroxylamine?
S-(4-aminophenyl)thiohydroxylamine has a molecular weight of 140.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-aminophenyl)thiohydroxylamine is sourced from PubChem (CID 57126015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).