7-aminonaphthalene-1-thiol

C10H9NS — CID 4713131

IUPAC7-aminonaphthalene-1-thiol
SMILESNc1ccc2cccc(S)c2c1
InChIInChI=1S/C10H9NS/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,12H,11H2
InChIKeyNSLJDNHNUHPTRB-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.71
Rot. Bonds

About 7-aminonaphthalene-1-thiol

7-aminonaphthalene-1-thiol (PubChem CID 4713131) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 7-aminonaphthalene-1-thiol.

Molecular Properties

Compound Name7-aminonaphthalene-1-thiol
PubChem CID4713131
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name7-aminonaphthalene-1-thiol
SMILESNc1ccc2cccc(S)c2c1
InChIInChI=1S/C10H9NS/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,12H,11H2
InChIKeyNSLJDNHNUHPTRB-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 7-aminonaphthalene-1-thiol?
The IUPAC name of 7-aminonaphthalene-1-thiol (CID 4713131) is 7-aminonaphthalene-1-thiol.
What is the SMILES notation for 7-aminonaphthalene-1-thiol?
The canonical SMILES for 7-aminonaphthalene-1-thiol is Nc1ccc2cccc(S)c2c1.
What is the InChIKey of 7-aminonaphthalene-1-thiol?
The InChIKey is NSLJDNHNUHPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,12H,11H2.
What are the key properties of 7-aminonaphthalene-1-thiol?
7-aminonaphthalene-1-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 7-aminonaphthalene-1-thiol is sourced from PubChem (CID 4713131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).