4-aminonaphthalene-2-thiol

C10H9NS — CID 22336615

IUPAC4-aminonaphthalene-2-thiol
SMILESNc1cc(S)cc2ccccc12
InChIInChI=1S/C10H9NS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H,11H2
InChIKeyAREXLWHDUHMFQE-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.71
Rot. Bonds

About 4-aminonaphthalene-2-thiol

4-aminonaphthalene-2-thiol (PubChem CID 22336615) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-aminonaphthalene-2-thiol.

Molecular Properties

Compound Name4-aminonaphthalene-2-thiol
PubChem CID22336615
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-aminonaphthalene-2-thiol
SMILESNc1cc(S)cc2ccccc12
InChIInChI=1S/C10H9NS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H,11H2
InChIKeyAREXLWHDUHMFQE-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminonaphthalene-2-thiol?
The IUPAC name of 4-aminonaphthalene-2-thiol (CID 22336615) is 4-aminonaphthalene-2-thiol.
What is the SMILES notation for 4-aminonaphthalene-2-thiol?
The canonical SMILES for 4-aminonaphthalene-2-thiol is Nc1cc(S)cc2ccccc12.
What is the InChIKey of 4-aminonaphthalene-2-thiol?
The InChIKey is AREXLWHDUHMFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6,12H,11H2.
What are the key properties of 4-aminonaphthalene-2-thiol?
4-aminonaphthalene-2-thiol has a molecular weight of 175.26 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminonaphthalene-2-thiol is sourced from PubChem (CID 22336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).